Name: Name:3-[4-(diphenylmethyl)piperazin-1-yl]-3-oxopropanenitrile
Brand: Angene
SKU: AG00CK11
Rating: 90 (10 reviews)

3-[4-(diphenylmethyl)piperazin-1-yl]-3-oxopropanenitrile

CAS No.:

313386-55-9

Catalog Number:

AG00CK11

Molecular Formula:

C20H21N3O

Molecular Weight:

319.4002

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Product Description

Catalog Number:

AG00CK11

Chemical Name:

3-[4-(diphenylmethyl)piperazin-1-yl]-3-oxopropanenitrile

CAS Number:

313386-55-9

Molecular Formula:

C20H21N3O

Molecular Weight:

319.4002

MDL Number:

MFCD01341785

IUPAC Name:

3-(4-benzhydrylpiperazin-1-yl)-3-oxopropanenitrile

InChI:

InChI=1S/C20H21N3O/c21-12-11-19(24)22-13-15-23(16-14-22)20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,20H,11,13-16H2

InChI Key:

SGVXWYLWBLENCP-UHFFFAOYSA-N

SMILES:

N#CCC(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1

Properties

Complexity:

431

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

319.168g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

319.408g/mol

Monoisotopic Mass:

319.168g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

47.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Properties