1-(3-methylphenyl)-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide

C20H30N2O — CID 120598674

IUPAC1-(3-methylphenyl)-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide
SMILESCc1cccc(C2(C(=O)NC3CCNC(C)C3)CCCCC2)c1
InChIInChI=1S/C20H30N2O/c1-15-7-6-8-17(13-15)20(10-4-3-5-11-20)19(23)22-18-9-12-21-16(2)14-18/h6-8,13,16,18,21H,3-5,9-12,14H2,1-2H3,(H,22,23)
InChIKeyBVZFGABIVHXGHS-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.45
Rot. Bonds3

About 1-(3-methylphenyl)-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide

1-(3-methylphenyl)-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide (PubChem CID 120598674) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide
PubChem CID120598674
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name1-(3-methylphenyl)-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide
SMILESCc1cccc(C2(C(=O)NC3CCNC(C)C3)CCCCC2)c1
InChIInChI=1S/C20H30N2O/c1-15-7-6-8-17(13-15)20(10-4-3-5-11-20)19(23)22-18-9-12-21-16(2)14-18/h6-8,13,16,18,21H,3-5,9-12,14H2,1-2H3,(H,22,23)
InChIKeyBVZFGABIVHXGHS-UHFFFAOYSA-N
XLogP3.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.45
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
1-(3-methoxy-4-methylphenyl)-N-(2-methylpiperidin-4-yl)cyclopentane-1-carboxamide
CID 120598802
N-(4-methylcyclohexyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 32668077
1-(3-methoxy-4-methylphenyl)-N-(2-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride
CID 120598801
N-(2-methylpiperidin-4-yl)-1-thiophen-2-ylcyclohexane-1-carboxamide
CID 120601282
N-piperidin-4-yl-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 119387498
1-(3-chlorophenyl)-N-piperidin-4-ylcyclohexane-1-carboxamide
CID 119387766
N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 128649441
1-ethylsulfonyl-N-(2-methylpiperidin-4-yl)-4-phenylpiperidine-4-carboxamide
CID 120600237
1-(3-bromophenyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride
CID 119452370
cis-(1R,3S)-3-[[1-(3-fluorophenyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677886
cis-(1S,3R)-3-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676107

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(3-methylphenyl)-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide (CID 120598674) is 1-(3-methylphenyl)-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(3-methylphenyl)-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(3-methylphenyl)-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide is Cc1cccc(C2(C(=O)NC3CCNC(C)C3)CCCCC2)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide?
The InChIKey is BVZFGABIVHXGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-15-7-6-8-17(13-15)20(10-4-3-5-11-20)19(23)22-18-9-12-21-16(2)14-18/h6-8,13,16,18,21H,3-5,9-12,14H2,1-2H3,(H,22,23).
What are the key properties of 1-(3-methylphenyl)-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide?
1-(3-methylphenyl)-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide has a molecular weight of 314.47 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 120598674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).