N-(4-chlorophenyl)-3-(3-hydroxypropyl)-3-phenylpiperidine-1-carboxamide

C21H25ClN2O2 — CID 46882950

IUPACN-(4-chlorophenyl)-3-(3-hydroxypropyl)-3-phenylpiperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCCC(CCCO)(c2ccccc2)C1
InChIInChI=1S/C21H25ClN2O2/c22-18-8-10-19(11-9-18)23-20(26)24-14-4-12-21(16-24,13-5-15-25)17-6-2-1-3-7-17/h1-3,6-11,25H,4-5,12-16H2,(H,23,26)
InChIKeyYVZSCJHEMPRIEE-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.68
Rot. Bonds5

About N-(4-chlorophenyl)-3-(3-hydroxypropyl)-3-phenylpiperidine-1-carboxamide

N-(4-chlorophenyl)-3-(3-hydroxypropyl)-3-phenylpiperidine-1-carboxamide (PubChem CID 46882950) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(3-hydroxypropyl)-3-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(3-hydroxypropyl)-3-phenylpiperidine-1-carboxamide
PubChem CID46882950
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC NameN-(4-chlorophenyl)-3-(3-hydroxypropyl)-3-phenylpiperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCCC(CCCO)(c2ccccc2)C1
InChIInChI=1S/C21H25ClN2O2/c22-18-8-10-19(11-9-18)23-20(26)24-14-4-12-21(16-24,13-5-15-25)17-6-2-1-3-7-17/h1-3,6-11,25H,4-5,12-16H2,(H,23,26)
InChIKeyYVZSCJHEMPRIEE-UHFFFAOYSA-N
XLogP4.68
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.68
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
N-(4-chlorophenyl)-3-(2-cyanoethyl)-3-phenylpiperidine-1-carboxamide
CID 42644084
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-{[3-(3-chlorobenzyl)-3-(hydroxymethyl)piperidin-1-yl]methyl}phenyl)acetamide
CID 16192090
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-(2-(dimethylamino)ethyl)-3-phenylpiperidine-1-carboxamide
CID 46882969
3-(1-(4-Chlorophenylcarbamoyl)-3-(2-(trifluoromethyl)phenyl)piperidin-3-yl)propanoic acid
CID 46882987

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(3-hydroxypropyl)-3-phenylpiperidine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3-(3-hydroxypropyl)-3-phenylpiperidine-1-carboxamide (CID 46882950) is N-(4-chlorophenyl)-3-(3-hydroxypropyl)-3-phenylpiperidine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-(3-hydroxypropyl)-3-phenylpiperidine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3-(3-hydroxypropyl)-3-phenylpiperidine-1-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CCCC(CCCO)(c2ccccc2)C1.
What is the InChIKey of N-(4-chlorophenyl)-3-(3-hydroxypropyl)-3-phenylpiperidine-1-carboxamide?
The InChIKey is YVZSCJHEMPRIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c22-18-8-10-19(11-9-18)23-20(26)24-14-4-12-21(16-24,13-5-15-25)17-6-2-1-3-7-17/h1-3,6-11,25H,4-5,12-16H2,(H,23,26).
What are the key properties of N-(4-chlorophenyl)-3-(3-hydroxypropyl)-3-phenylpiperidine-1-carboxamide?
N-(4-chlorophenyl)-3-(3-hydroxypropyl)-3-phenylpiperidine-1-carboxamide has a molecular weight of 372.90 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-(3-hydroxypropyl)-3-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 46882950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).