1-(4-amino-3-fluorobenzoyl)piperidine-3-carboxamide

C13H16FN3O2 — CID 62678681

IUPAC1-(4-amino-3-fluorobenzoyl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)c2ccc(N)c(F)c2)C1
InChIInChI=1S/C13H16FN3O2/c14-10-6-8(3-4-11(10)15)13(19)17-5-1-2-9(7-17)12(16)18/h3-4,6,9H,1-2,5,7,15H2,(H2,16,18)
InChIKeyBYCXZBSKKOYZCD-UHFFFAOYSA-N
MW265.29 g/mol
LogP0.75
Rot. Bonds2

About 1-(4-amino-3-fluorobenzoyl)piperidine-3-carboxamide

1-(4-amino-3-fluorobenzoyl)piperidine-3-carboxamide (PubChem CID 62678681) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 1-(4-amino-3-fluorobenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-amino-3-fluorobenzoyl)piperidine-3-carboxamide
PubChem CID62678681
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name1-(4-amino-3-fluorobenzoyl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)c2ccc(N)c(F)c2)C1
InChIInChI=1S/C13H16FN3O2/c14-10-6-8(3-4-11(10)15)13(19)17-5-1-2-9(7-17)12(16)18/h3-4,6,9H,1-2,5,7,15H2,(H2,16,18)
InChIKeyBYCXZBSKKOYZCD-UHFFFAOYSA-N
XLogP0.75
TPSA89.42 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 ≤ 50.75
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

(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 68704612
1-(3-amino-2,6-difluorobenzoyl)piperidine-3-carboxamide
CID 79768262
(4-amino-3-fluorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 94895188
1-(4-amino-3-methylbenzoyl)pyrrolidine-3-carboxamide
CID 114081648
1-(4-bromo-3-chlorobenzoyl)piperidine-3-carboxamide
CID 80961813
1-(3-fluoro-4-methylbenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041999
1-(3,5-dihydroxybenzoyl)piperidine-3-carboxamide
CID 103891600
1-(4-amino-3,5-dichlorobenzoyl)piperidine-3-carboxamide
CID 82832980
(3S)-1-(2,3-dimethylquinoxaline-6-carbonyl)piperidine-3-carboxamide
CID 94457790
methyl 1-(3,4-difluorobenzoyl)piperidine-3-carboxylate
CID 78919125
(3-amino-4-fluorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 61102754
methyl (3S)-1-(3,4-difluorobenzoyl)piperidine-3-carboxylate
CID 78919478

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-fluorobenzoyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-amino-3-fluorobenzoyl)piperidine-3-carboxamide (CID 62678681) is 1-(4-amino-3-fluorobenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-amino-3-fluorobenzoyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-amino-3-fluorobenzoyl)piperidine-3-carboxamide is NC(=O)C1CCCN(C(=O)c2ccc(N)c(F)c2)C1.
What is the InChIKey of 1-(4-amino-3-fluorobenzoyl)piperidine-3-carboxamide?
The InChIKey is BYCXZBSKKOYZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c14-10-6-8(3-4-11(10)15)13(19)17-5-1-2-9(7-17)12(16)18/h3-4,6,9H,1-2,5,7,15H2,(H2,16,18).
What are the key properties of 1-(4-amino-3-fluorobenzoyl)piperidine-3-carboxamide?
1-(4-amino-3-fluorobenzoyl)piperidine-3-carboxamide has a molecular weight of 265.29 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-fluorobenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 62678681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).