5-amino-2-methoxy-N-(6-oxopiperidin-3-yl)benzamide

C13H17N3O3 — CID 55245873

IUPAC5-amino-2-methoxy-N-(6-oxopiperidin-3-yl)benzamide
SMILESCOc1ccc(N)cc1C(=O)NC1CCC(=O)NC1
InChIInChI=1S/C13H17N3O3/c1-19-11-4-2-8(14)6-10(11)13(18)16-9-3-5-12(17)15-7-9/h2,4,6,9H,3,5,7,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyCUCJDDLBNRROGT-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.29
Rot. Bonds3

About 5-amino-2-methoxy-N-(6-oxopiperidin-3-yl)benzamide

5-amino-2-methoxy-N-(6-oxopiperidin-3-yl)benzamide (PubChem CID 55245873) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 5-amino-2-methoxy-N-(6-oxopiperidin-3-yl)benzamide.

Molecular Properties

Compound Name5-amino-2-methoxy-N-(6-oxopiperidin-3-yl)benzamide
PubChem CID55245873
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name5-amino-2-methoxy-N-(6-oxopiperidin-3-yl)benzamide
SMILESCOc1ccc(N)cc1C(=O)NC1CCC(=O)NC1
InChIInChI=1S/C13H17N3O3/c1-19-11-4-2-8(14)6-10(11)13(18)16-9-3-5-12(17)15-7-9/h2,4,6,9H,3,5,7,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyCUCJDDLBNRROGT-UHFFFAOYSA-N
XLogP0.29
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-amino-2-methoxy-N-(5-oxopyrrolidin-3-yl)benzamide
CID 114154678
4-amino-2-chloro-N-(6-oxopiperidin-3-yl)benzamide
CID 55245874
5-amino-2-methoxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 64656087
5-amino-2-methoxy-N-(4-methylcyclohexyl)benzamide
CID 28690128
3-bromo-4-methoxy-N-(6-oxopiperidin-3-yl)benzamide
CID 62492298
5-amino-N-(4-carbamoylcyclohexyl)-2-methoxybenzamide
CID 61125956
5-amino-2-methoxy-N-(3-methylcyclopentyl)benzamide
CID 114542636
2-methyl-N-[(3R)-6-oxopiperidin-3-yl]benzamide
CID 70955192
3-amino-4-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 63662752
N-[(3S)-6-oxopiperidin-3-yl]-2-propan-2-yloxybenzamide
CID 95324961
2-amino-5-methoxy-N-(5-oxopyrrolidin-3-yl)benzamide
CID 106179800

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methoxy-N-(6-oxopiperidin-3-yl)benzamide?
The IUPAC name of 5-amino-2-methoxy-N-(6-oxopiperidin-3-yl)benzamide (CID 55245873) is 5-amino-2-methoxy-N-(6-oxopiperidin-3-yl)benzamide.
What is the SMILES notation for 5-amino-2-methoxy-N-(6-oxopiperidin-3-yl)benzamide?
The canonical SMILES for 5-amino-2-methoxy-N-(6-oxopiperidin-3-yl)benzamide is COc1ccc(N)cc1C(=O)NC1CCC(=O)NC1.
What is the InChIKey of 5-amino-2-methoxy-N-(6-oxopiperidin-3-yl)benzamide?
The InChIKey is CUCJDDLBNRROGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-19-11-4-2-8(14)6-10(11)13(18)16-9-3-5-12(17)15-7-9/h2,4,6,9H,3,5,7,14H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 5-amino-2-methoxy-N-(6-oxopiperidin-3-yl)benzamide?
5-amino-2-methoxy-N-(6-oxopiperidin-3-yl)benzamide has a molecular weight of 263.30 g/mol, XLogP of 0.29, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methoxy-N-(6-oxopiperidin-3-yl)benzamide is sourced from PubChem (CID 55245873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).