3-amino-4-methyl-N-(6-oxopiperidin-3-yl)benzamide

C13H17N3O2 — CID 63662752

IUPAC3-amino-4-methyl-N-(6-oxopiperidin-3-yl)benzamide
SMILESCc1ccc(C(=O)NC2CCC(=O)NC2)cc1N
InChIInChI=1S/C13H17N3O2/c1-8-2-3-9(6-11(8)14)13(18)16-10-4-5-12(17)15-7-10/h2-3,6,10H,4-5,7,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyYHLZWCRFQXECQV-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.59
Rot. Bonds2

About 3-amino-4-methyl-N-(6-oxopiperidin-3-yl)benzamide

3-amino-4-methyl-N-(6-oxopiperidin-3-yl)benzamide (PubChem CID 63662752) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-amino-4-methyl-N-(6-oxopiperidin-3-yl)benzamide.

Molecular Properties

Compound Name3-amino-4-methyl-N-(6-oxopiperidin-3-yl)benzamide
PubChem CID63662752
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name3-amino-4-methyl-N-(6-oxopiperidin-3-yl)benzamide
SMILESCc1ccc(C(=O)NC2CCC(=O)NC2)cc1N
InChIInChI=1S/C13H17N3O2/c1-8-2-3-9(6-11(8)14)13(18)16-10-4-5-12(17)15-7-10/h2-3,6,10H,4-5,7,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyYHLZWCRFQXECQV-UHFFFAOYSA-N
XLogP0.59
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-methoxy-N-(6-oxopiperidin-3-yl)benzamide
CID 55246056
4-hydrazinyl-3-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 63662542
4-chloro-3-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 113256480
3-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 62491778
3-[(6-oxopiperidin-3-yl)carbamoyl]benzoic acid
CID 63662325
N-(6-oxopiperidin-3-yl)-2H-benzotriazole-5-carboxamide
CID 62489932
3-chloro-4-fluoro-N-(6-oxopiperidin-3-yl)benzamide
CID 81434409
3,6-dimethyl-2-[(6-oxopiperidin-3-yl)carbamoyl]benzoic acid
CID 103429074
3-bromo-4-methoxy-N-(6-oxopiperidin-3-yl)benzamide
CID 62492298
4-methyl-3-[(6-oxopiperidin-3-yl)carbamoylamino]benzoic acid
CID 63663220
4-(N'-hydroxycarbamimidoyl)-N-(6-oxopiperidin-3-yl)benzamide
CID 77004005
N-(6-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 62492175

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-N-(6-oxopiperidin-3-yl)benzamide?
The IUPAC name of 3-amino-4-methyl-N-(6-oxopiperidin-3-yl)benzamide (CID 63662752) is 3-amino-4-methyl-N-(6-oxopiperidin-3-yl)benzamide.
What is the SMILES notation for 3-amino-4-methyl-N-(6-oxopiperidin-3-yl)benzamide?
The canonical SMILES for 3-amino-4-methyl-N-(6-oxopiperidin-3-yl)benzamide is Cc1ccc(C(=O)NC2CCC(=O)NC2)cc1N.
What is the InChIKey of 3-amino-4-methyl-N-(6-oxopiperidin-3-yl)benzamide?
The InChIKey is YHLZWCRFQXECQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-8-2-3-9(6-11(8)14)13(18)16-10-4-5-12(17)15-7-10/h2-3,6,10H,4-5,7,14H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 3-amino-4-methyl-N-(6-oxopiperidin-3-yl)benzamide?
3-amino-4-methyl-N-(6-oxopiperidin-3-yl)benzamide has a molecular weight of 247.30 g/mol, XLogP of 0.59, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-N-(6-oxopiperidin-3-yl)benzamide is sourced from PubChem (CID 63662752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).