4-amino-N-methyl-1-[(2S)-2-phenylcyclohexyl]piperidine-4-carboxamide

C19H29N3O — CID 163920403

IUPAC4-amino-N-methyl-1-[(2S)-2-phenylcyclohexyl]piperidine-4-carboxamide
SMILESCNC(=O)C1(N)CCN(C2CCCC[C@H]2c2ccccc2)CC1
InChIInChI=1S/C19H29N3O/c1-21-18(23)19(20)11-13-22(14-12-19)17-10-6-5-9-16(17)15-7-3-2-4-8-15/h2-4,7-8,16-17H,5-6,9-14,20H2,1H3,(H,21,23)/t16-,17?/m0/s1
InChIKeyQZYIAAGYKUPSSP-BHWOMJMDSA-N
MW315.46 g/mol
LogP2.25
Rot. Bonds3

About 4-amino-N-methyl-1-[(2S)-2-phenylcyclohexyl]piperidine-4-carboxamide

4-amino-N-methyl-1-[(2S)-2-phenylcyclohexyl]piperidine-4-carboxamide (PubChem CID 163920403) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 4-amino-N-methyl-1-[(2S)-2-phenylcyclohexyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-1-[(2S)-2-phenylcyclohexyl]piperidine-4-carboxamide
PubChem CID163920403
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name4-amino-N-methyl-1-[(2S)-2-phenylcyclohexyl]piperidine-4-carboxamide
SMILESCNC(=O)C1(N)CCN(C2CCCC[C@H]2c2ccccc2)CC1
InChIInChI=1S/C19H29N3O/c1-21-18(23)19(20)11-13-22(14-12-19)17-10-6-5-9-16(17)15-7-3-2-4-8-15/h2-4,7-8,16-17H,5-6,9-14,20H2,1H3,(H,21,23)/t16-,17?/m0/s1
InChIKeyQZYIAAGYKUPSSP-BHWOMJMDSA-N
XLogP2.25
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-phenylcyclohexyl)-4-(propan-2-ylamino)piperidine-4-carboxamide
CID 69486342
2-[4-(ethylamino)-1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 174514506
1-[(1R,2R)-2-phenylcyclohexyl]-4-(propan-2-ylamino)piperidine-4-carbonitrile
CID 69487621
1-amino-N-(2-phenylcyclopentyl)cyclopropane-1-carboxamide
CID 119783047
N-methyl-1-(2-phenylcyclohexyl)pyrrolidin-3-amine
CID 105402237
tert-butyl 2-(2-phenylcyclohexyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 167141572
N-(3,5-dimethylphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 91468186
N-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzamide
CID 91480833
(1-aminocyclopentyl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone
CID 119337122
1-(4-methylphenyl)-8-[(1R,2R)-2-phenylcyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one
CID 69486898
2-methyl-N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 91172689
1-(2-phenylcyclohexyl)piperidin-3-amine
CID 105402048

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-1-[(2S)-2-phenylcyclohexyl]piperidine-4-carboxamide?
The IUPAC name of 4-amino-N-methyl-1-[(2S)-2-phenylcyclohexyl]piperidine-4-carboxamide (CID 163920403) is 4-amino-N-methyl-1-[(2S)-2-phenylcyclohexyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-1-[(2S)-2-phenylcyclohexyl]piperidine-4-carboxamide?
The canonical SMILES for 4-amino-N-methyl-1-[(2S)-2-phenylcyclohexyl]piperidine-4-carboxamide is CNC(=O)C1(N)CCN(C2CCCC[C@H]2c2ccccc2)CC1.
What is the InChIKey of 4-amino-N-methyl-1-[(2S)-2-phenylcyclohexyl]piperidine-4-carboxamide?
The InChIKey is QZYIAAGYKUPSSP-BHWOMJMDSA-N. The full InChI is InChI=1S/C19H29N3O/c1-21-18(23)19(20)11-13-22(14-12-19)17-10-6-5-9-16(17)15-7-3-2-4-8-15/h2-4,7-8,16-17H,5-6,9-14,20H2,1H3,(H,21,23)/t16-,17?/m0/s1.
What are the key properties of 4-amino-N-methyl-1-[(2S)-2-phenylcyclohexyl]piperidine-4-carboxamide?
4-amino-N-methyl-1-[(2S)-2-phenylcyclohexyl]piperidine-4-carboxamide has a molecular weight of 315.46 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-1-[(2S)-2-phenylcyclohexyl]piperidine-4-carboxamide is sourced from PubChem (CID 163920403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).