1-(3-methylphenyl)-N-(2-piperidin-3-ylethyl)cyclohexane-1-carboxamide

C21H32N2O — CID 119558765

IUPAC1-(3-methylphenyl)-N-(2-piperidin-3-ylethyl)cyclohexane-1-carboxamide
SMILESCc1cccc(C2(C(=O)NCCC3CCCNC3)CCCCC2)c1
InChIInChI=1S/C21H32N2O/c1-17-7-5-9-19(15-17)21(11-3-2-4-12-21)20(24)23-14-10-18-8-6-13-22-16-18/h5,7,9,15,18,22H,2-4,6,8,10-14,16H2,1H3,(H,23,24)
InChIKeyZMIMMNVPVVMCIC-UHFFFAOYSA-N
MW328.50 g/mol
LogP3.70
Rot. Bonds5

About 1-(3-methylphenyl)-N-(2-piperidin-3-ylethyl)cyclohexane-1-carboxamide

1-(3-methylphenyl)-N-(2-piperidin-3-ylethyl)cyclohexane-1-carboxamide (PubChem CID 119558765) has the molecular formula C21H32N2O and a molecular weight of 328.50 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-(2-piperidin-3-ylethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-(2-piperidin-3-ylethyl)cyclohexane-1-carboxamide
PubChem CID119558765
Molecular FormulaC21H32N2O
Molecular Weight328.50 g/mol
Exact Mass328.25
IUPAC Name1-(3-methylphenyl)-N-(2-piperidin-3-ylethyl)cyclohexane-1-carboxamide
SMILESCc1cccc(C2(C(=O)NCCC3CCCNC3)CCCCC2)c1
InChIInChI=1S/C21H32N2O/c1-17-7-5-9-19(15-17)21(11-3-2-4-12-21)20(24)23-14-10-18-8-6-13-22-16-18/h5,7,9,15,18,22H,2-4,6,8,10-14,16H2,1H3,(H,23,24)
InChIKeyZMIMMNVPVVMCIC-UHFFFAOYSA-N
XLogP3.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-N-(2-piperidin-3-ylethyl)cyclobutane-1-carboxamide
CID 119555237
1-(3-methoxy-4-methylphenyl)-N-(2-piperidin-3-ylethyl)cyclopentane-1-carboxamide
CID 119556531
1-(3-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide
CID 119534325
1-(4-chlorophenyl)-N-(2-piperidin-3-ylethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119556453
1-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)cyclobutane-1-carboxamide
CID 119558146
1-(4-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119534101
1-(3-methylphenyl)-N-(3-piperazin-1-ylpropyl)cyclohexane-1-carboxamide;hydrochloride
CID 119393940
N-[2-(ethylamino)ethyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 119507604
1-(4-methylphenyl)sulfanyl-N-(2-piperidin-3-ylethyl)cyclopentane-1-carboxamide
CID 119556086
4-(3-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)oxane-4-carboxamide
CID 119537652
4-[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]butanoic acid
CID 119170628
2-(2,5-dimethylphenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 62538178

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-(2-piperidin-3-ylethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(3-methylphenyl)-N-(2-piperidin-3-ylethyl)cyclohexane-1-carboxamide (CID 119558765) is 1-(3-methylphenyl)-N-(2-piperidin-3-ylethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(3-methylphenyl)-N-(2-piperidin-3-ylethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(3-methylphenyl)-N-(2-piperidin-3-ylethyl)cyclohexane-1-carboxamide is Cc1cccc(C2(C(=O)NCCC3CCCNC3)CCCCC2)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-(2-piperidin-3-ylethyl)cyclohexane-1-carboxamide?
The InChIKey is ZMIMMNVPVVMCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O/c1-17-7-5-9-19(15-17)21(11-3-2-4-12-21)20(24)23-14-10-18-8-6-13-22-16-18/h5,7,9,15,18,22H,2-4,6,8,10-14,16H2,1H3,(H,23,24).
What are the key properties of 1-(3-methylphenyl)-N-(2-piperidin-3-ylethyl)cyclohexane-1-carboxamide?
1-(3-methylphenyl)-N-(2-piperidin-3-ylethyl)cyclohexane-1-carboxamide has a molecular weight of 328.50 g/mol, XLogP of 3.70, 5 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-piperidin-3-ylethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 119558765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).