N-(2-methylpiperidin-3-yl)-4-phenylcyclohexane-1-carboxamide

C19H28N2O — CID 120576328

IUPACN-(2-methylpiperidin-3-yl)-4-phenylcyclohexane-1-carboxamide
SMILESCC1NCCCC1NC(=O)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C19H28N2O/c1-14-18(8-5-13-20-14)21-19(22)17-11-9-16(10-12-17)15-6-3-2-4-7-15/h2-4,6-7,14,16-18,20H,5,8-13H2,1H3,(H,21,22)
InChIKeyBGBLXCURQPGLIO-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.22
Rot. Bonds3

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

N-(2-methylpiperidin-3-yl)-4-phenylcyclohexane-1-carboxamide (PubChem CID 120576328) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is N-(2-methylpiperidin-3-yl)-4-phenylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylpiperidin-3-yl)-4-phenylcyclohexane-1-carboxamide
PubChem CID120576328
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC NameN-(2-methylpiperidin-3-yl)-4-phenylcyclohexane-1-carboxamide
SMILESCC1NCCCC1NC(=O)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C19H28N2O/c1-14-18(8-5-13-20-14)21-19(22)17-11-9-16(10-12-17)15-6-3-2-4-7-15/h2-4,6-7,14,16-18,20H,5,8-13H2,1H3,(H,21,22)
InChIKeyBGBLXCURQPGLIO-UHFFFAOYSA-N
XLogP3.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R,3R)-2-methylpiperidin-3-yl]benzamide
CID 124511336
N-(2-methylpiperidin-3-yl)cyclopent-3-ene-1-carboxamide
CID 114694966
N-(2-methylpiperidin-3-yl)-2-phenyloxane-3-carboxamide;hydrochloride
CID 120573458
N-(2-methylpiperidin-3-yl)-2-phenylacetamide;hydrochloride
CID 120574528
1-benzoyl-N-(2-methylpiperidin-3-yl)piperidine-3-carboxamide;hydrochloride
CID 120577067
1-methyl-N-(2-methylpiperidin-3-yl)piperidine-4-carboxamide;dihydrochloride
CID 120576315
N-(2-methylpiperidin-3-yl)-1-phenylcyclopentane-1-carboxamide;hydrochloride
CID 120577312
2-(2,6-difluorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide;hydrochloride
CID 120577001
N-(2-methylpiperidin-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;hydrochloride
CID 120577340
5-chloro-N-(2-methylpiperidin-3-yl)thiophene-2-carboxamide
CID 114695049
N-(2-methylpiperidin-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 114695004
2-benzyl-N-(2-methylpiperidin-3-yl)benzamide
CID 120573777

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-3-yl)-4-phenylcyclohexane-1-carboxamide?
The IUPAC name of N-(2-methylpiperidin-3-yl)-4-phenylcyclohexane-1-carboxamide (CID 120576328) is N-(2-methylpiperidin-3-yl)-4-phenylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-methylpiperidin-3-yl)-4-phenylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2-methylpiperidin-3-yl)-4-phenylcyclohexane-1-carboxamide is CC1NCCCC1NC(=O)C1CCC(c2ccccc2)CC1.
What is the InChIKey of N-(2-methylpiperidin-3-yl)-4-phenylcyclohexane-1-carboxamide?
The InChIKey is BGBLXCURQPGLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-14-18(8-5-13-20-14)21-19(22)17-11-9-16(10-12-17)15-6-3-2-4-7-15/h2-4,6-7,14,16-18,20H,5,8-13H2,1H3,(H,21,22).
What are the key properties of N-(2-methylpiperidin-3-yl)-4-phenylcyclohexane-1-carboxamide?
N-(2-methylpiperidin-3-yl)-4-phenylcyclohexane-1-carboxamide has a molecular weight of 300.45 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-3-yl)-4-phenylcyclohexane-1-carboxamide is sourced from PubChem (CID 120576328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).