1-(3-chlorophenyl)-N-piperidin-4-ylcyclohexane-1-carboxamide

C18H25ClN2O — CID 119387766

IUPAC1-(3-chlorophenyl)-N-piperidin-4-ylcyclohexane-1-carboxamide
SMILESO=C(NC1CCNCC1)C1(c2cccc(Cl)c2)CCCCC1
InChIInChI=1S/C18H25ClN2O/c19-15-6-4-5-14(13-15)18(9-2-1-3-10-18)17(22)21-16-7-11-20-12-8-16/h4-6,13,16,20H,1-3,7-12H2,(H,21,22)
InChIKeyVBNXHEXCLIDVBE-UHFFFAOYSA-N
MW320.86 g/mol
LogP3.41
Rot. Bonds3

About 1-(3-chlorophenyl)-N-piperidin-4-ylcyclohexane-1-carboxamide

1-(3-chlorophenyl)-N-piperidin-4-ylcyclohexane-1-carboxamide (PubChem CID 119387766) has the molecular formula C18H25ClN2O and a molecular weight of 320.86 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-piperidin-4-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-piperidin-4-ylcyclohexane-1-carboxamide
PubChem CID119387766
Molecular FormulaC18H25ClN2O
Molecular Weight320.86 g/mol
Exact Mass320.17
IUPAC Name1-(3-chlorophenyl)-N-piperidin-4-ylcyclohexane-1-carboxamide
SMILESO=C(NC1CCNCC1)C1(c2cccc(Cl)c2)CCCCC1
InChIInChI=1S/C18H25ClN2O/c19-15-6-4-5-14(13-15)18(9-2-1-3-10-18)17(22)21-16-7-11-20-12-8-16/h4-6,13,16,20H,1-3,7-12H2,(H,21,22)
InChIKeyVBNXHEXCLIDVBE-UHFFFAOYSA-N
XLogP3.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.86
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide;hydrochloride
CID 120601700
N-piperidin-4-yl-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 119387498
N-(4-aminocyclohexyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119478308
4-(3-chlorophenyl)-N-pyrrolidin-3-yloxane-4-carboxamide;hydrochloride
CID 119453799
1-(3-bromophenyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride
CID 119452370
N-(4-aminocyclohexyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119474559
[1-(3-chlorophenyl)cyclohexyl]-piperazin-1-ylmethanone
CID 119401673
3-[[1-(3-chlorophenyl)cyclohexanecarbonyl]amino]-N-cyclopropylbenzamide
CID 134047957
tert-butyl 4-[[1-(3-chlorophenyl)cyclopentanecarbonyl]amino]piperidine-1-carboxylate
CID 52731080
1-(3-chlorophenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]cyclobutane-1-carboxamide
CID 56568898
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-chlorophenyl)oxane-4-carboxamide
CID 119459119
tert-butyl 4-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]piperidine-1-carboxylate
CID 52731131

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-piperidin-4-ylcyclohexane-1-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-piperidin-4-ylcyclohexane-1-carboxamide (CID 119387766) is 1-(3-chlorophenyl)-N-piperidin-4-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-piperidin-4-ylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-piperidin-4-ylcyclohexane-1-carboxamide is O=C(NC1CCNCC1)C1(c2cccc(Cl)c2)CCCCC1.
What is the InChIKey of 1-(3-chlorophenyl)-N-piperidin-4-ylcyclohexane-1-carboxamide?
The InChIKey is VBNXHEXCLIDVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O/c19-15-6-4-5-14(13-15)18(9-2-1-3-10-18)17(22)21-16-7-11-20-12-8-16/h4-6,13,16,20H,1-3,7-12H2,(H,21,22).
What are the key properties of 1-(3-chlorophenyl)-N-piperidin-4-ylcyclohexane-1-carboxamide?
1-(3-chlorophenyl)-N-piperidin-4-ylcyclohexane-1-carboxamide has a molecular weight of 320.86 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-piperidin-4-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 119387766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).