N-cyclohexyl-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide

C20H30N2O — CID 43918586

IUPACN-cyclohexyl-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1cccc(CN2CCCC(C(=O)NC3CCCCC3)C2)c1
InChIInChI=1S/C20H30N2O/c1-16-7-5-8-17(13-16)14-22-12-6-9-18(15-22)20(23)21-19-10-3-2-4-11-19/h5,7-8,13,18-19H,2-4,6,9-12,14-15H2,1H3,(H,21,23)
InChIKeyMZWOBCWOINPBCS-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.66
Rot. Bonds4

About N-cyclohexyl-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide

N-cyclohexyl-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 43918586) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is N-cyclohexyl-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
PubChem CID43918586
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC NameN-cyclohexyl-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1cccc(CN2CCCC(C(=O)NC3CCCCC3)C2)c1
InChIInChI=1S/C20H30N2O/c1-16-7-5-8-17(13-16)14-22-12-6-9-18(15-22)20(23)21-19-10-3-2-4-11-19/h5,7-8,13,18-19H,2-4,6,9-12,14-15H2,1H3,(H,21,23)
InChIKeyMZWOBCWOINPBCS-UHFFFAOYSA-N
XLogP3.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-bromophenyl)methyl]-N-cyclooctylpiperidine-3-carboxamide
CID 43925877
(3S)-1-[(3-carbamoylphenyl)methyl]-N-cyclohexylpiperidine-3-carboxamide
CID 94798301
N-(3,5-dimethylphenyl)-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 43919218
N-cyclohexyl-1-[(3-methylphenyl)methyl]piperidin-3-amine
CID 83999105
N-(2-fluorophenyl)-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 43921367
1-[1-[(3-methylphenyl)methyl]piperidin-3-yl]butan-1-one
CID 83982657
N-cyclopentyl-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43918554
1-[(3-methylphenyl)methyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 43917331
N-cyclohexyl-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 50803988
N-cyclohexyl-3-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 124999270
ethyl 4-[[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]amino]piperidine-1-carboxylate
CID 47802432
N-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 43917335

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide (CID 43918586) is N-cyclohexyl-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide is Cc1cccc(CN2CCCC(C(=O)NC3CCCCC3)C2)c1.
What is the InChIKey of N-cyclohexyl-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is MZWOBCWOINPBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-16-7-5-8-17(13-16)14-22-12-6-9-18(15-22)20(23)21-19-10-3-2-4-11-19/h5,7-8,13,18-19H,2-4,6,9-12,14-15H2,1H3,(H,21,23).
What are the key properties of N-cyclohexyl-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide?
N-cyclohexyl-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 314.47 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43918586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).