1-[3-(7-fluoroquinolin-3-yl)benzoyl]piperidine-3-carboxamide

C22H20FN3O2 — CID 162628143

IUPAC1-[3-(7-fluoroquinolin-3-yl)benzoyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)c2cccc(-c3cnc4cc(F)ccc4c3)c2)C1
InChIInChI=1S/C22H20FN3O2/c23-19-7-6-15-10-18(12-25-20(15)11-19)14-3-1-4-16(9-14)22(28)26-8-2-5-17(13-26)21(24)27/h1,3-4,6-7,9-12,17H,2,5,8,13H2,(H2,24,27)
InChIKeyDSTOHOYVPQCDGV-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.38
Rot. Bonds3

About 1-[3-(7-fluoroquinolin-3-yl)benzoyl]piperidine-3-carboxamide

1-[3-(7-fluoroquinolin-3-yl)benzoyl]piperidine-3-carboxamide (PubChem CID 162628143) has the molecular formula C22H20FN3O2 and a molecular weight of 377.42 g/mol. Its IUPAC name is 1-[3-(7-fluoroquinolin-3-yl)benzoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(7-fluoroquinolin-3-yl)benzoyl]piperidine-3-carboxamide
PubChem CID162628143
Molecular FormulaC22H20FN3O2
Molecular Weight377.42 g/mol
Exact Mass377.15
IUPAC Name1-[3-(7-fluoroquinolin-3-yl)benzoyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)c2cccc(-c3cnc4cc(F)ccc4c3)c2)C1
InChIInChI=1S/C22H20FN3O2/c23-19-7-6-15-10-18(12-25-20(15)11-19)14-3-1-4-16(9-14)22(28)26-8-2-5-17(13-26)21(24)27/h1,3-4,6-7,9-12,17H,2,5,8,13H2,(H2,24,27)
InChIKeyDSTOHOYVPQCDGV-UHFFFAOYSA-N
XLogP3.38
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[3-(3H-benzimidazol-5-yl)benzoyl]piperidine-3-carboxamide
CID 126448856
(7-fluoroquinolin-3-yl)-(3-methylpiperidin-1-yl)methanone
CID 110489762
(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 68704612
(3S)-1-[3-(6-amino-2-methylsulfanylpyrimidin-4-yl)benzoyl]piperidine-3-carboxamide
CID 126432128
[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 932369
[1-(3-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 3769094
(3S)-1-[5-(3-fluorophenyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide
CID 51493997
(3R)-1-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzoyl]piperidine-3-carboxamide
CID 125442231
(3S)-1-(2,3-dimethylquinoxaline-6-carbonyl)piperidine-3-carboxamide
CID 94457790
(3S)-1-[3-(2-propan-2-ylphenyl)benzoyl]piperidine-3-carboxamide
CID 126442176
1-(4-amino-3-fluorobenzoyl)piperidine-3-carboxamide
CID 62678681
(3R)-1-[4-(6-amino-5-chloro-3-pyridinyl)benzoyl]piperidine-3-carboxamide
CID 125436986

Frequently Asked Questions

What is the IUPAC name of 1-[3-(7-fluoroquinolin-3-yl)benzoyl]piperidine-3-carboxamide?
The IUPAC name of 1-[3-(7-fluoroquinolin-3-yl)benzoyl]piperidine-3-carboxamide (CID 162628143) is 1-[3-(7-fluoroquinolin-3-yl)benzoyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[3-(7-fluoroquinolin-3-yl)benzoyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[3-(7-fluoroquinolin-3-yl)benzoyl]piperidine-3-carboxamide is NC(=O)C1CCCN(C(=O)c2cccc(-c3cnc4cc(F)ccc4c3)c2)C1.
What is the InChIKey of 1-[3-(7-fluoroquinolin-3-yl)benzoyl]piperidine-3-carboxamide?
The InChIKey is DSTOHOYVPQCDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2/c23-19-7-6-15-10-18(12-25-20(15)11-19)14-3-1-4-16(9-14)22(28)26-8-2-5-17(13-26)21(24)27/h1,3-4,6-7,9-12,17H,2,5,8,13H2,(H2,24,27).
What are the key properties of 1-[3-(7-fluoroquinolin-3-yl)benzoyl]piperidine-3-carboxamide?
1-[3-(7-fluoroquinolin-3-yl)benzoyl]piperidine-3-carboxamide has a molecular weight of 377.42 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(7-fluoroquinolin-3-yl)benzoyl]piperidine-3-carboxamide is sourced from PubChem (CID 162628143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).