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

C14H19N3O3 — CID 64656087

IUPAC5-amino-2-methoxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
SMILESCOc1ccc(N)cc1C(=O)NC1CCC(=O)N(C)C1
InChIInChI=1S/C14H19N3O3/c1-17-8-10(4-6-13(17)18)16-14(19)11-7-9(15)3-5-12(11)20-2/h3,5,7,10H,4,6,8,15H2,1-2H3,(H,16,19)
InChIKeyKKHVZAPGWGZQMZ-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.63
Rot. Bonds3

About 5-amino-2-methoxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide

5-amino-2-methoxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide (PubChem CID 64656087) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 5-amino-2-methoxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide.

Molecular Properties

Compound Name5-amino-2-methoxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
PubChem CID64656087
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name5-amino-2-methoxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
SMILESCOc1ccc(N)cc1C(=O)NC1CCC(=O)N(C)C1
InChIInChI=1S/C14H19N3O3/c1-17-8-10(4-6-13(17)18)16-14(19)11-7-9(15)3-5-12(11)20-2/h3,5,7,10H,4,6,8,15H2,1-2H3,(H,16,19)
InChIKeyKKHVZAPGWGZQMZ-UHFFFAOYSA-N
XLogP0.63
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methoxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide?
The IUPAC name of 5-amino-2-methoxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide (CID 64656087) is 5-amino-2-methoxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide.
What is the SMILES notation for 5-amino-2-methoxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide?
The canonical SMILES for 5-amino-2-methoxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide is COc1ccc(N)cc1C(=O)NC1CCC(=O)N(C)C1.
What is the InChIKey of 5-amino-2-methoxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide?
The InChIKey is KKHVZAPGWGZQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-17-8-10(4-6-13(17)18)16-14(19)11-7-9(15)3-5-12(11)20-2/h3,5,7,10H,4,6,8,15H2,1-2H3,(H,16,19).
What are the key properties of 5-amino-2-methoxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide?
5-amino-2-methoxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide has a molecular weight of 277.32 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methoxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide is sourced from PubChem (CID 64656087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).