4-amino-2-methyl-N-(2-oxopiperidin-3-yl)cyclohexane-1-carboxamide

C13H23N3O2 — CID 62783041

IUPAC4-amino-2-methyl-N-(2-oxopiperidin-3-yl)cyclohexane-1-carboxamide
SMILESCC1CC(N)CCC1C(=O)NC1CCCNC1=O
InChIInChI=1S/C13H23N3O2/c1-8-7-9(14)4-5-10(8)12(17)16-11-3-2-6-15-13(11)18/h8-11H,2-7,14H2,1H3,(H,15,18)(H,16,17)
InChIKeyJBWLMPZUKZBGLA-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.14
Rot. Bonds2

About 4-amino-2-methyl-N-(2-oxopiperidin-3-yl)cyclohexane-1-carboxamide

4-amino-2-methyl-N-(2-oxopiperidin-3-yl)cyclohexane-1-carboxamide (PubChem CID 62783041) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-amino-2-methyl-N-(2-oxopiperidin-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-2-methyl-N-(2-oxopiperidin-3-yl)cyclohexane-1-carboxamide
PubChem CID62783041
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name4-amino-2-methyl-N-(2-oxopiperidin-3-yl)cyclohexane-1-carboxamide
SMILESCC1CC(N)CCC1C(=O)NC1CCCNC1=O
InChIInChI=1S/C13H23N3O2/c1-8-7-9(14)4-5-10(8)12(17)16-11-3-2-6-15-13(11)18/h8-11H,2-7,14H2,1H3,(H,15,18)(H,16,17)
InChIKeyJBWLMPZUKZBGLA-UHFFFAOYSA-N
XLogP0.14
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(tert-butyl)decahydroisoquinoline-3-carboxamide
CID 3667935
(3S,4aS,8aS)-N-(tert-Butyl)decahydroisoquinoline-3-carboxamide
CID 454736
(3S,4aS,8aS)-N-tert-butyldecahydro-3-isoquinolinecarboxamide
CID 7157270
N-{1-[(2,3-dimethylcyclohexyl)amino]-3-methyl-1-oxobutan-2-yl}cyclohexanecarboxamide
CID 3501377
N-[1-[(2,3-dimethylcyclohexyl)amino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide
CID 4640083
N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 16374651
(2S)-2-(3-cyclohexylpropanoylamino)-4-methylpentanamide
CID 42578187
N-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 45840326
3-(Cyclohexylmethyl)piperazin-2-one
CID 80401292
(2S)-1-[2-[(2-cyclohexylacetyl)amino]acetyl]piperidine-2-carboxamide
CID 97315922
(2S)-2-amino-2-cyclohexyl-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 99776273
N-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]-6-oxopiperidine-2-carboxamide
CID 122136640

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-N-(2-oxopiperidin-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-2-methyl-N-(2-oxopiperidin-3-yl)cyclohexane-1-carboxamide (CID 62783041) is 4-amino-2-methyl-N-(2-oxopiperidin-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-2-methyl-N-(2-oxopiperidin-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-2-methyl-N-(2-oxopiperidin-3-yl)cyclohexane-1-carboxamide is CC1CC(N)CCC1C(=O)NC1CCCNC1=O.
What is the InChIKey of 4-amino-2-methyl-N-(2-oxopiperidin-3-yl)cyclohexane-1-carboxamide?
The InChIKey is JBWLMPZUKZBGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-8-7-9(14)4-5-10(8)12(17)16-11-3-2-6-15-13(11)18/h8-11H,2-7,14H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 4-amino-2-methyl-N-(2-oxopiperidin-3-yl)cyclohexane-1-carboxamide?
4-amino-2-methyl-N-(2-oxopiperidin-3-yl)cyclohexane-1-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 0.14, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-N-(2-oxopiperidin-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 62783041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).