4-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]butanoic acid

C22H25ClN2O3 — CID 42644088

IUPAC4-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]butanoic acid
SMILESO=C(O)CCCC1(c2ccccc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C22H25ClN2O3/c23-18-9-11-19(12-10-18)24-21(28)25-15-5-14-22(16-25,13-4-8-20(26)27)17-6-2-1-3-7-17/h1-3,6-7,9-12H,4-5,8,13-16H2,(H,24,28)(H,26,27)
InChIKeyYTDWKPSJWUXUKF-UHFFFAOYSA-N
MW400.91 g/mol
LogP5.16
Rot. Bonds6

About 4-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]butanoic acid

4-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]butanoic acid (PubChem CID 42644088) has the molecular formula C22H25ClN2O3 and a molecular weight of 400.91 g/mol. Its IUPAC name is 4-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]butanoic acid.

Molecular Properties

Compound Name4-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]butanoic acid
PubChem CID42644088
Molecular FormulaC22H25ClN2O3
Molecular Weight400.91 g/mol
Exact Mass400.16
IUPAC Name4-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]butanoic acid
SMILESO=C(O)CCCC1(c2ccccc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C22H25ClN2O3/c23-18-9-11-19(12-10-18)24-21(28)25-15-5-14-22(16-25,13-4-8-20(26)27)17-6-2-1-3-7-17/h1-3,6-7,9-12H,4-5,8,13-16H2,(H,24,28)(H,26,27)
InChIKeyYTDWKPSJWUXUKF-UHFFFAOYSA-N
XLogP5.16
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.91
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 3-(1-(4-chlorophenylcarbamoyl)-3-phenylpiperidin-3-yl)propanoate
CID 25138325
N-(4-chlorophenyl)-3-(2-hydroxyethyl)-3-phenylpiperidine-1-carboxamide
CID 46882949
N-(4-chlorophenyl)-3-methyl-3-phenylpiperidine-1-carboxamide
CID 44555473
3-(1-(4-Chlorophenylcarbamoyl)-3-phenylpiperidin-3-yl)propanoic acid
CID 42646199
3-(3-amino-3-oxopropyl)-N-(4-chlorophenyl)-3-phenylpiperidine-1-carboxamide
CID 46882951
N-(4-chlorophenyl)-3-(3-(methylamino)-3-oxopropyl)-3-phenylpiperidine-1-carboxamide
CID 46882972
2-Amino-6-borono-2-[1-[(4-chlorophenyl)carbamoyl]piperidin-4-yl]hexanoic acid
CID 66832782
2-[2-[(2,5-dichlorophenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid
CID 16028660
2-(1-(4-Chlorophenylcarbamoyl)-3-phenylpiperidin-3-yl)acetic acid
CID 46882918
5-(1-(4-Chlorophenylcarbamoyl)-3-phenylpiperidin-3-yl)pentanoic acid
CID 46882919
N-(4-chlorophenyl)-3-(3-hydroxypropyl)-3-phenylpiperidine-1-carboxamide
CID 46882950
N-(4-chlorophenyl)-3-(2-(dimethylamino)ethyl)-3-phenylpiperidine-1-carboxamide
CID 46882969

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]butanoic acid?
The IUPAC name of 4-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]butanoic acid (CID 42644088) is 4-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]butanoic acid.
What is the SMILES notation for 4-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]butanoic acid?
The canonical SMILES for 4-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]butanoic acid is O=C(O)CCCC1(c2ccccc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1.
What is the InChIKey of 4-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]butanoic acid?
The InChIKey is YTDWKPSJWUXUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O3/c23-18-9-11-19(12-10-18)24-21(28)25-15-5-14-22(16-25,13-4-8-20(26)27)17-6-2-1-3-7-17/h1-3,6-7,9-12H,4-5,8,13-16H2,(H,24,28)(H,26,27).
What are the key properties of 4-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]butanoic acid?
4-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]butanoic acid has a molecular weight of 400.91 g/mol, XLogP of 5.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]butanoic acid is sourced from PubChem (CID 42644088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).