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

C13H17N3O2 — CID 64655074

IUPAC2-amino-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
SMILESCN1CC(NC(=O)c2ccccc2N)CCC1=O
InChIInChI=1S/C13H17N3O2/c1-16-8-9(6-7-12(16)17)15-13(18)10-4-2-3-5-11(10)14/h2-5,9H,6-8,14H2,1H3,(H,15,18)
InChIKeyJEJZBXKFRACZQH-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.62
Rot. Bonds2

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

2-amino-N-(1-methyl-6-oxopiperidin-3-yl)benzamide (PubChem CID 64655074) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-amino-N-(1-methyl-6-oxopiperidin-3-yl)benzamide.

Molecular Properties

Compound Name2-amino-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
PubChem CID64655074
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-amino-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
SMILESCN1CC(NC(=O)c2ccccc2N)CCC1=O
InChIInChI=1S/C13H17N3O2/c1-16-8-9(6-7-12(16)17)15-13(18)10-4-2-3-5-11(10)14/h2-5,9H,6-8,14H2,1H3,(H,15,18)
InChIKeyJEJZBXKFRACZQH-UHFFFAOYSA-N
XLogP0.62
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 112575976
5-amino-2-methyl-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 64655482
3-amino-2-[(1-methyl-6-oxopiperidin-3-yl)amino]benzamide
CID 112579126
2-bromo-N-(1-methyl-6-oxopiperidin-3-yl)furan-3-carboxamide
CID 106854038
3-amino-2,4-dichloro-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide
CID 100756034
4-bromo-2-hydroxy-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide
CID 96505596
2-amino-N-(1-methylpiperidin-4-yl)benzamide;dihydrochloride
CID 119946137
2-bromo-4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 103765334
2-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid
CID 64655940
5-amino-2-methoxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 64656087
4-amino-3-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 64655889
4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide
CID 81232502

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-methyl-6-oxopiperidin-3-yl)benzamide?
The IUPAC name of 2-amino-N-(1-methyl-6-oxopiperidin-3-yl)benzamide (CID 64655074) is 2-amino-N-(1-methyl-6-oxopiperidin-3-yl)benzamide.
What is the SMILES notation for 2-amino-N-(1-methyl-6-oxopiperidin-3-yl)benzamide?
The canonical SMILES for 2-amino-N-(1-methyl-6-oxopiperidin-3-yl)benzamide is CN1CC(NC(=O)c2ccccc2N)CCC1=O.
What is the InChIKey of 2-amino-N-(1-methyl-6-oxopiperidin-3-yl)benzamide?
The InChIKey is JEJZBXKFRACZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-16-8-9(6-7-12(16)17)15-13(18)10-4-2-3-5-11(10)14/h2-5,9H,6-8,14H2,1H3,(H,15,18).
What are the key properties of 2-amino-N-(1-methyl-6-oxopiperidin-3-yl)benzamide?
2-amino-N-(1-methyl-6-oxopiperidin-3-yl)benzamide has a molecular weight of 247.30 g/mol, XLogP of 0.62, 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)benzamide is sourced from PubChem (CID 64655074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).