5-[3-(4-fluorobenzoyl)piperidine-1-carbonyl]-4-methyl-1H-pyridin-2-one

C19H19FN2O3 — CID 71919840

IUPAC5-[3-(4-fluorobenzoyl)piperidine-1-carbonyl]-4-methyl-1H-pyridin-2-one
SMILESCc1cc(=O)[nH]cc1C(=O)N1CCCC(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C19H19FN2O3/c1-12-9-17(23)21-10-16(12)19(25)22-8-2-3-14(11-22)18(24)13-4-6-15(20)7-5-13/h4-7,9-10,14H,2-3,8,11H2,1H3,(H,21,23)
InChIKeyMROIJMSZUACQOM-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.56
Rot. Bonds3

About 5-[3-(4-fluorobenzoyl)piperidine-1-carbonyl]-4-methyl-1H-pyridin-2-one

5-[3-(4-fluorobenzoyl)piperidine-1-carbonyl]-4-methyl-1H-pyridin-2-one (PubChem CID 71919840) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is 5-[3-(4-fluorobenzoyl)piperidine-1-carbonyl]-4-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[3-(4-fluorobenzoyl)piperidine-1-carbonyl]-4-methyl-1H-pyridin-2-one
PubChem CID71919840
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name5-[3-(4-fluorobenzoyl)piperidine-1-carbonyl]-4-methyl-1H-pyridin-2-one
SMILESCc1cc(=O)[nH]cc1C(=O)N1CCCC(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C19H19FN2O3/c1-12-9-17(23)21-10-16(12)19(25)22-8-2-3-14(11-22)18(24)13-4-6-15(20)7-5-13/h4-7,9-10,14H,2-3,8,11H2,1H3,(H,21,23)
InChIKeyMROIJMSZUACQOM-UHFFFAOYSA-N
XLogP2.56
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-(4-tert-butylbenzoyl)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one
CID 56915916
(4-fluorophenyl)-[(3R)-1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]methanone
CID 95773916
(4-fluorophenyl)-[1-(3-methylbenzoyl)piperidin-3-yl]methanone
CID 110394780
cyclohexyl-[(3S)-3-(4-fluorobenzoyl)piperidin-1-yl]methanone
CID 69455656
1-(4-fluoro-2-methylbenzoyl)-N-methylpiperidine-3-carboxamide
CID 103820449
[(3S)-1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone
CID 16671792
2-amino-1-[3-(4-fluorobenzoyl)piperidin-1-yl]ethanone
CID 119332026
(2R)-2-amino-1-[3-(4-fluorobenzoyl)piperidin-1-yl]propan-1-one
CID 119332040
(4-chlorophenyl)-[1-(2-methylbenzoyl)piperidin-3-yl]methanone
CID 110289382
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
4-methyl-5-(3-methylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 119580359
(3S)-1-(6-fluoro-1H-indole-3-carbonyl)-N-methylpiperidine-3-carboxamide
CID 97260094

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-fluorobenzoyl)piperidine-1-carbonyl]-4-methyl-1H-pyridin-2-one?
The IUPAC name of 5-[3-(4-fluorobenzoyl)piperidine-1-carbonyl]-4-methyl-1H-pyridin-2-one (CID 71919840) is 5-[3-(4-fluorobenzoyl)piperidine-1-carbonyl]-4-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-[3-(4-fluorobenzoyl)piperidine-1-carbonyl]-4-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-[3-(4-fluorobenzoyl)piperidine-1-carbonyl]-4-methyl-1H-pyridin-2-one is Cc1cc(=O)[nH]cc1C(=O)N1CCCC(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 5-[3-(4-fluorobenzoyl)piperidine-1-carbonyl]-4-methyl-1H-pyridin-2-one?
The InChIKey is MROIJMSZUACQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-12-9-17(23)21-10-16(12)19(25)22-8-2-3-14(11-22)18(24)13-4-6-15(20)7-5-13/h4-7,9-10,14H,2-3,8,11H2,1H3,(H,21,23).
What are the key properties of 5-[3-(4-fluorobenzoyl)piperidine-1-carbonyl]-4-methyl-1H-pyridin-2-one?
5-[3-(4-fluorobenzoyl)piperidine-1-carbonyl]-4-methyl-1H-pyridin-2-one has a molecular weight of 342.37 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-fluorobenzoyl)piperidine-1-carbonyl]-4-methyl-1H-pyridin-2-one is sourced from PubChem (CID 71919840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).