1-(3-chlorophenyl)-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide;hydrochloride

C19H28Cl2N2O — CID 120601700

IUPAC1-(3-chlorophenyl)-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide;hydrochloride
SMILESCC1CC(NC(=O)C2(c3cccc(Cl)c3)CCCCC2)CCN1.Cl
InChIInChI=1S/C19H27ClN2O.ClH/c1-14-12-17(8-11-21-14)22-18(23)19(9-3-2-4-10-19)15-6-5-7-16(20)13-15;/h5-7,13-14,17,21H,2-4,8-12H2,1H3,(H,22,23);1H
InChIKeyAVTLIDHWBYRPND-UHFFFAOYSA-N
MW371.35 g/mol
LogP4.22
Rot. Bonds3

About 1-(3-chlorophenyl)-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide;hydrochloride

1-(3-chlorophenyl)-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 120601700) has the molecular formula C19H28Cl2N2O and a molecular weight of 371.35 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID120601700
Molecular FormulaC19H28Cl2N2O
Molecular Weight371.35 g/mol
Exact Mass370.16
IUPAC Name1-(3-chlorophenyl)-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide;hydrochloride
SMILESCC1CC(NC(=O)C2(c3cccc(Cl)c3)CCCCC2)CCN1.Cl
InChIInChI=1S/C19H27ClN2O.ClH/c1-14-12-17(8-11-21-14)22-18(23)19(9-3-2-4-10-19)15-6-5-7-16(20)13-15;/h5-7,13-14,17,21H,2-4,8-12H2,1H3,(H,22,23);1H
InChIKeyAVTLIDHWBYRPND-UHFFFAOYSA-N
XLogP4.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylphenyl)-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 120598674
1-(3-chlorophenyl)-N-piperidin-4-ylcyclohexane-1-carboxamide
CID 119387766
N-(4-aminocyclohexyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119478308
1-(3-methoxy-4-methylphenyl)-N-(2-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride
CID 120598801
1-(3-methoxy-4-methylphenyl)-N-(2-methylpiperidin-4-yl)cyclopentane-1-carboxamide
CID 120598802
N-(2-methylpiperidin-4-yl)-1-thiophen-2-ylcyclohexane-1-carboxamide
CID 120601282
3-chloro-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120602026
4-(3-chlorophenyl)-N-pyrrolidin-3-yloxane-4-carboxamide;hydrochloride
CID 119453799
(2S,4S)-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120625677
N-(4-aminocyclohexyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119474559
(2S,4S)-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-2-methylpiperidine-4-carboxamide
CID 120625678
N-piperidin-4-yl-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 119387498

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-(3-chlorophenyl)-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide;hydrochloride (CID 120601700) is 1-(3-chlorophenyl)-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-(3-chlorophenyl)-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide;hydrochloride is CC1CC(NC(=O)C2(c3cccc(Cl)c3)CCCCC2)CCN1.Cl.
What is the InChIKey of 1-(3-chlorophenyl)-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is AVTLIDHWBYRPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O.ClH/c1-14-12-17(8-11-21-14)22-18(23)19(9-3-2-4-10-19)15-6-5-7-16(20)13-15;/h5-7,13-14,17,21H,2-4,8-12H2,1H3,(H,22,23);1H.
What are the key properties of 1-(3-chlorophenyl)-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide;hydrochloride?
1-(3-chlorophenyl)-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 371.35 g/mol, XLogP of 4.22, 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-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 120601700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).