1-methyl-N-[(3S)-2-oxopiperidin-3-yl]cyclohexane-1-carboxamide

C13H22N2O2 — CID 12003155

IUPAC1-methyl-N-[(3S)-2-oxopiperidin-3-yl]cyclohexane-1-carboxamide
SMILESCC1(C(=O)N[C@H]2CCCNC2=O)CCCCC1
InChIInChI=1S/C13H22N2O2/c1-13(7-3-2-4-8-13)12(17)15-10-6-5-9-14-11(10)16/h10H,2-9H2,1H3,(H,14,16)(H,15,17)/t10-/m0/s1
InChIKeyJIEBKQZEIRYCPO-JTQLQIEISA-N
MW238.33 g/mol
LogP1.35
Rot. Bonds2

About 1-methyl-N-[(3S)-2-oxopiperidin-3-yl]cyclohexane-1-carboxamide

1-methyl-N-[(3S)-2-oxopiperidin-3-yl]cyclohexane-1-carboxamide (PubChem CID 12003155) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-methyl-N-[(3S)-2-oxopiperidin-3-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(3S)-2-oxopiperidin-3-yl]cyclohexane-1-carboxamide
PubChem CID12003155
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-methyl-N-[(3S)-2-oxopiperidin-3-yl]cyclohexane-1-carboxamide
SMILESCC1(C(=O)N[C@H]2CCCNC2=O)CCCCC1
InChIInChI=1S/C13H22N2O2/c1-13(7-3-2-4-8-13)12(17)15-10-6-5-9-14-11(10)16/h10H,2-9H2,1H3,(H,14,16)(H,15,17)/t10-/m0/s1
InChIKeyJIEBKQZEIRYCPO-JTQLQIEISA-N
XLogP1.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-methyl-N-[(3S)-2-oxopiperidin-3-yl]cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(3S)-2-oxopiperidin-3-yl]cyclohexane-1-carboxamide?
The IUPAC name of 1-methyl-N-[(3S)-2-oxopiperidin-3-yl]cyclohexane-1-carboxamide (CID 12003155) is 1-methyl-N-[(3S)-2-oxopiperidin-3-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-methyl-N-[(3S)-2-oxopiperidin-3-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-methyl-N-[(3S)-2-oxopiperidin-3-yl]cyclohexane-1-carboxamide is CC1(C(=O)N[C@H]2CCCNC2=O)CCCCC1.
What is the InChIKey of 1-methyl-N-[(3S)-2-oxopiperidin-3-yl]cyclohexane-1-carboxamide?
The InChIKey is JIEBKQZEIRYCPO-JTQLQIEISA-N. The full InChI is InChI=1S/C13H22N2O2/c1-13(7-3-2-4-8-13)12(17)15-10-6-5-9-14-11(10)16/h10H,2-9H2,1H3,(H,14,16)(H,15,17)/t10-/m0/s1.
What are the key properties of 1-methyl-N-[(3S)-2-oxopiperidin-3-yl]cyclohexane-1-carboxamide?
1-methyl-N-[(3S)-2-oxopiperidin-3-yl]cyclohexane-1-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(3S)-2-oxopiperidin-3-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 12003155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).