2-amino-N-(1-methyl-6-oxopiperidin-3-yl)cyclohexane-1-carboxamide

C13H23N3O2 — CID 64668462

IUPAC2-amino-N-(1-methyl-6-oxopiperidin-3-yl)cyclohexane-1-carboxamide
SMILESCN1CC(NC(=O)C2CCCCC2N)CCC1=O
InChIInChI=1S/C13H23N3O2/c1-16-8-9(6-7-12(16)17)15-13(18)10-4-2-3-5-11(10)14/h9-11H,2-8,14H2,1H3,(H,15,18)
InChIKeyKPNKNMUUIFRHTN-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.24
Rot. Bonds2

About 2-amino-N-(1-methyl-6-oxopiperidin-3-yl)cyclohexane-1-carboxamide

2-amino-N-(1-methyl-6-oxopiperidin-3-yl)cyclohexane-1-carboxamide (PubChem CID 64668462) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-amino-N-(1-methyl-6-oxopiperidin-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(1-methyl-6-oxopiperidin-3-yl)cyclohexane-1-carboxamide
PubChem CID64668462
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-amino-N-(1-methyl-6-oxopiperidin-3-yl)cyclohexane-1-carboxamide
SMILESCN1CC(NC(=O)C2CCCCC2N)CCC1=O
InChIInChI=1S/C13H23N3O2/c1-16-8-9(6-7-12(16)17)15-13(18)10-4-2-3-5-11(10)14/h9-11H,2-8,14H2,1H3,(H,15,18)
InChIKeyKPNKNMUUIFRHTN-UHFFFAOYSA-N
XLogP0.24
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-methyl-6-oxopiperidin-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-(1-methyl-6-oxopiperidin-3-yl)cyclohexane-1-carboxamide (CID 64668462) is 2-amino-N-(1-methyl-6-oxopiperidin-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(1-methyl-6-oxopiperidin-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-(1-methyl-6-oxopiperidin-3-yl)cyclohexane-1-carboxamide is CN1CC(NC(=O)C2CCCCC2N)CCC1=O.
What is the InChIKey of 2-amino-N-(1-methyl-6-oxopiperidin-3-yl)cyclohexane-1-carboxamide?
The InChIKey is KPNKNMUUIFRHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-16-8-9(6-7-12(16)17)15-13(18)10-4-2-3-5-11(10)14/h9-11H,2-8,14H2,1H3,(H,15,18).
What are the key properties of 2-amino-N-(1-methyl-6-oxopiperidin-3-yl)cyclohexane-1-carboxamide?
2-amino-N-(1-methyl-6-oxopiperidin-3-yl)cyclohexane-1-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-methyl-6-oxopiperidin-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 64668462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).