Home Carboxys 1-{[(9H-fluoren-9-yl)methoxy]carbonyl}-4-(1H-pyrazol-1-yl)piperidine-4-carboxylic acid

1-{[(9H-fluoren-9-yl)methoxy]carbonyl}-4-(1H-pyrazol-1-yl)piperidine-4-carboxylic acid

CAS No.:
2137773-58-9
Catalog Number:
AG01EKOE
Molecular Formula:
C24H23N3O4
Molecular Weight:
417.4571
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Product Description
Catalog Number:
AG01EKOE
Chemical Name:
1-{[(9H-fluoren-9-yl)methoxy]carbonyl}-4-(1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CAS Number:
2137773-58-9
Molecular Formula:
C24H23N3O4
Molecular Weight:
417.4571
MDL Number:
MFCD31558845
IUPAC Name:
1-(9H-fluoren-9-ylmethoxycarbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
InChI:
InChI=1S/C24H23N3O4/c28-22(29)24(27-13-5-12-25-27)10-14-26(15-11-24)23(30)31-16-21-19-8-3-1-6-17(19)18-7-2-4-9-20(18)21/h1-9,12-13,21H,10-11,14-16H2,(H,28,29)
InChI Key:
NWQNREQRXHSVBO-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)(C(=O)O)n1cccn1)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
656  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
417.169g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
417.465g/mol
Monoisotopic Mass:
417.169g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties