2-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]acetic acid

C20H21ClN2O3 — CID 46882918

IUPAC2-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]acetic acid
SMILESO=C(O)CC1(c2ccccc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C20H21ClN2O3/c21-16-7-9-17(10-8-16)22-19(26)23-12-4-11-20(14-23,13-18(24)25)15-5-2-1-3-6-15/h1-3,5-10H,4,11-14H2,(H,22,26)(H,24,25)
InChIKeySCQHVECWBAHHHV-UHFFFAOYSA-N
MW372.85 g/mol
LogP4.38
Rot. Bonds4

About 2-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]acetic acid

2-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]acetic acid (PubChem CID 46882918) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is 2-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]acetic acid
PubChem CID46882918
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name2-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]acetic acid
SMILESO=C(O)CC1(c2ccccc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C20H21ClN2O3/c21-16-7-9-17(10-8-16)22-19(26)23-12-4-11-20(14-23,13-18(24)25)15-5-2-1-3-6-15/h1-3,5-10H,4,11-14H2,(H,22,26)(H,24,25)
InChIKeySCQHVECWBAHHHV-UHFFFAOYSA-N
XLogP4.38
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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
4-(1-(4-Chlorophenylcarbamoyl)-3-phenylpiperidin-3-yl)butanoic acid
CID 42644088
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
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
N-(4-chlorophenyl)-3-(3-(diethylamino)-3-oxopropyl)-3-phenylpiperidine-1-carboxamide
CID 46882973

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]acetic acid (CID 46882918) is 2-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]acetic acid is O=C(O)CC1(c2ccccc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1.
What is the InChIKey of 2-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]acetic acid?
The InChIKey is SCQHVECWBAHHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c21-16-7-9-17(10-8-16)22-19(26)23-12-4-11-20(14-23,13-18(24)25)15-5-2-1-3-6-15/h1-3,5-10H,4,11-14H2,(H,22,26)(H,24,25).
What are the key properties of 2-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]acetic acid?
2-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]acetic acid has a molecular weight of 372.85 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]acetic acid is sourced from PubChem (CID 46882918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).