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

C13H16FN3O2 — CID 64655889

IUPAC4-amino-3-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
SMILESCN1CC(NC(=O)c2ccc(N)c(F)c2)CCC1=O
InChIInChI=1S/C13H16FN3O2/c1-17-7-9(3-5-12(17)18)16-13(19)8-2-4-11(15)10(14)6-8/h2,4,6,9H,3,5,7,15H2,1H3,(H,16,19)
InChIKeyBMNVKGDVYLXCNL-UHFFFAOYSA-N
MW265.29 g/mol
LogP0.76
Rot. Bonds2

About 4-amino-3-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide

4-amino-3-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide (PubChem CID 64655889) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
PubChem CID64655889
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name4-amino-3-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
SMILESCN1CC(NC(=O)c2ccc(N)c(F)c2)CCC1=O
InChIInChI=1S/C13H16FN3O2/c1-17-7-9(3-5-12(17)18)16-13(19)8-2-4-11(15)10(14)6-8/h2,4,6,9H,3,5,7,15H2,1H3,(H,16,19)
InChIKeyBMNVKGDVYLXCNL-UHFFFAOYSA-N
XLogP0.76
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 50.76
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

2-amino-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 64667254
N-(1-methyl-6-oxopiperidin-3-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104615091
3,5-dihydroxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 103892579
4-amino-N-cyclooctyl-3-fluorobenzamide
CID 62679448
N-(1-methyl-6-oxopiperidin-3-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 64668240
2-bromo-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 103752814
4-amino-3-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
CID 82843888
2-amino-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 64655074
2-(methylamino)-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 64669853
N-(1-methyl-6-oxopiperidin-3-yl)-1H-indazole-6-carboxamide
CID 64667250
4-bromo-N-(1-methyl-6-oxopiperidin-3-yl)-3-nitrobenzamide
CID 64669403
4-amino-N-(4-carbamoylcyclohexyl)-3-fluorobenzamide
CID 62680438

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide?
The IUPAC name of 4-amino-3-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide (CID 64655889) is 4-amino-3-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide.
What is the SMILES notation for 4-amino-3-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide?
The canonical SMILES for 4-amino-3-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide is CN1CC(NC(=O)c2ccc(N)c(F)c2)CCC1=O.
What is the InChIKey of 4-amino-3-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide?
The InChIKey is BMNVKGDVYLXCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c1-17-7-9(3-5-12(17)18)16-13(19)8-2-4-11(15)10(14)6-8/h2,4,6,9H,3,5,7,15H2,1H3,(H,16,19).
What are the key properties of 4-amino-3-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide?
4-amino-3-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide has a molecular weight of 265.29 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide is sourced from PubChem (CID 64655889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).