3-[[4-[[4-(4-chlorophenyl)benzoyl]amino]phenyl]methyl]piperidine-1-carboxylic acid

C26H25ClN2O3 — CID 69497348

IUPAC3-[[4-[[4-(4-chlorophenyl)benzoyl]amino]phenyl]methyl]piperidine-1-carboxylic acid
SMILESO=C(Nc1ccc(CC2CCCN(C(=O)O)C2)cc1)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H25ClN2O3/c27-23-11-9-21(10-12-23)20-5-7-22(8-6-20)25(30)28-24-13-3-18(4-14-24)16-19-2-1-15-29(17-19)26(31)32/h3-14,19H,1-2,15-17H2,(H,28,30)(H,31,32)
InChIKeyQCHOGXIKADYFHW-UHFFFAOYSA-N
MW448.95 g/mol
LogP6.19
Rot. Bonds5

About 3-[[4-[[4-(4-chlorophenyl)benzoyl]amino]phenyl]methyl]piperidine-1-carboxylic acid

3-[[4-[[4-(4-chlorophenyl)benzoyl]amino]phenyl]methyl]piperidine-1-carboxylic acid (PubChem CID 69497348) has the molecular formula C26H25ClN2O3 and a molecular weight of 448.95 g/mol. Its IUPAC name is 3-[[4-[[4-(4-chlorophenyl)benzoyl]amino]phenyl]methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[[4-[[4-(4-chlorophenyl)benzoyl]amino]phenyl]methyl]piperidine-1-carboxylic acid
PubChem CID69497348
Molecular FormulaC26H25ClN2O3
Molecular Weight448.95 g/mol
Exact Mass448.16
IUPAC Name3-[[4-[[4-(4-chlorophenyl)benzoyl]amino]phenyl]methyl]piperidine-1-carboxylic acid
SMILESO=C(Nc1ccc(CC2CCCN(C(=O)O)C2)cc1)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H25ClN2O3/c27-23-11-9-21(10-12-23)20-5-7-22(8-6-20)25(30)28-24-13-3-18(4-14-24)16-19-2-1-15-29(17-19)26(31)32/h3-14,19H,1-2,15-17H2,(H,28,30)(H,31,32)
InChIKeyQCHOGXIKADYFHW-UHFFFAOYSA-N
XLogP6.19
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.95
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109048985
4-chloro-N-[4-[[(3R)-pyrrolidin-3-yl]methyl]phenyl]benzamide
CID 124566275
(3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 9120034
N-(4-chlorophenyl)-4-(2-pyrrolidin-1-ylethyl)benzamide
CID 70967822
4-chloro-N-[4-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]phenyl]benzamide
CID 44524261
4-chloro-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide
CID 108760627
(3S)-1-(4-chlorobenzoyl)-N-(4-phenylphenyl)piperidine-3-carboxamide
CID 2542955
(3R)-3-[(4-chlorophenyl)methylamino]piperidine-1-carboxylic acid
CID 68661601
N-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 119397607
N-(4-chlorophenyl)-4-(4-hydroxypiperidin-1-yl)benzamide
CID 111331512
4-(chloromethyl)-N-(4-chlorophenyl)benzamide
CID 43333316
(3R)-N-(4-chlorophenyl)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-1-carboxamide
CID 93072696

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[[4-(4-chlorophenyl)benzoyl]amino]phenyl]methyl]piperidine-1-carboxylic acid?
The IUPAC name of 3-[[4-[[4-(4-chlorophenyl)benzoyl]amino]phenyl]methyl]piperidine-1-carboxylic acid (CID 69497348) is 3-[[4-[[4-(4-chlorophenyl)benzoyl]amino]phenyl]methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 3-[[4-[[4-(4-chlorophenyl)benzoyl]amino]phenyl]methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 3-[[4-[[4-(4-chlorophenyl)benzoyl]amino]phenyl]methyl]piperidine-1-carboxylic acid is O=C(Nc1ccc(CC2CCCN(C(=O)O)C2)cc1)c1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-[[4-[[4-(4-chlorophenyl)benzoyl]amino]phenyl]methyl]piperidine-1-carboxylic acid?
The InChIKey is QCHOGXIKADYFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN2O3/c27-23-11-9-21(10-12-23)20-5-7-22(8-6-20)25(30)28-24-13-3-18(4-14-24)16-19-2-1-15-29(17-19)26(31)32/h3-14,19H,1-2,15-17H2,(H,28,30)(H,31,32).
What are the key properties of 3-[[4-[[4-(4-chlorophenyl)benzoyl]amino]phenyl]methyl]piperidine-1-carboxylic acid?
3-[[4-[[4-(4-chlorophenyl)benzoyl]amino]phenyl]methyl]piperidine-1-carboxylic acid has a molecular weight of 448.95 g/mol, XLogP of 6.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[[4-(4-chlorophenyl)benzoyl]amino]phenyl]methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 69497348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).