5-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]pentanoic acid

C23H27ClN2O3 — CID 46882919

IUPAC5-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]pentanoic acid
SMILESO=C(O)CCCCC1(c2ccccc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C23H27ClN2O3/c24-19-10-12-20(13-11-19)25-22(29)26-16-6-15-23(17-26,14-5-4-9-21(27)28)18-7-2-1-3-8-18/h1-3,7-8,10-13H,4-6,9,14-17H2,(H,25,29)(H,27,28)
InChIKeyCXIKGNQQHDCIPP-UHFFFAOYSA-N
MW414.93 g/mol
LogP5.55
Rot. Bonds7

About 5-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]pentanoic acid

5-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]pentanoic acid (PubChem CID 46882919) has the molecular formula C23H27ClN2O3 and a molecular weight of 414.93 g/mol. Its IUPAC name is 5-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]pentanoic acid.

Molecular Properties

Compound Name5-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]pentanoic acid
PubChem CID46882919
Molecular FormulaC23H27ClN2O3
Molecular Weight414.93 g/mol
Exact Mass414.17
IUPAC Name5-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]pentanoic acid
SMILESO=C(O)CCCCC1(c2ccccc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C23H27ClN2O3/c24-19-10-12-20(13-11-19)25-22(29)26-16-6-15-23(17-26,14-5-4-9-21(27)28)18-7-2-1-3-8-18/h1-3,7-8,10-13H,4-6,9,14-17H2,(H,25,29)(H,27,28)
InChIKeyCXIKGNQQHDCIPP-UHFFFAOYSA-N
XLogP5.55
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.93
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
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
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 5-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]pentanoic acid?
The IUPAC name of 5-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]pentanoic acid (CID 46882919) is 5-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]pentanoic acid.
What is the SMILES notation for 5-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]pentanoic acid?
The canonical SMILES for 5-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]pentanoic acid is O=C(O)CCCCC1(c2ccccc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1.
What is the InChIKey of 5-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]pentanoic acid?
The InChIKey is CXIKGNQQHDCIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O3/c24-19-10-12-20(13-11-19)25-22(29)26-16-6-15-23(17-26,14-5-4-9-21(27)28)18-7-2-1-3-8-18/h1-3,7-8,10-13H,4-6,9,14-17H2,(H,25,29)(H,27,28).
What are the key properties of 5-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]pentanoic acid?
5-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]pentanoic acid has a molecular weight of 414.93 g/mol, XLogP of 5.55, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]pentanoic acid is sourced from PubChem (CID 46882919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).