Name: Name:1-(3,4,5-trimethoxybenzoyl)piperidine-3-carboxylic acid
Brand: Angene
SKU: AG019ZWJ
Rating: 90 (10 reviews)

1-(3,4,5-trimethoxybenzoyl)piperidine-3-carboxylic acid

CAS No.:

926202-97-3

Catalog Number:

AG019ZWJ

Molecular Formula:

C16H21NO6

Molecular Weight:

323.3410

Catalog Number:

AG019ZWJ

Chemical Name:

1-(3,4,5-trimethoxybenzoyl)piperidine-3-carboxylic acid

CAS Number:

926202-97-3

Molecular Formula:

C16H21NO6

Molecular Weight:

323.3410

MDL Number:

MFCD09047783

IUPAC Name:

1-(3,4,5-trimethoxybenzoyl)piperidine-3-carboxylic acid

InChI:

InChI=1S/C16H21NO6/c1-21-12-7-11(8-13(22-2)14(12)23-3)15(18)17-6-4-5-10(9-17)16(19)20/h7-8,10H,4-6,9H2,1-3H3,(H,19,20)

InChI Key:

AUQCYIGGVULYII-UHFFFAOYSA-N

SMILES:

COc1cc(cc(c1OC)OC)C(=O)N1CCCC(C1)C(=O)O

Complexity:

415

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

323.137g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

323.345g/mol

Monoisotopic Mass:

323.137g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

85.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3