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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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).