1-(3-fluorobenzoyl)-N-pyridin-3-ylpiperidine-4-carboxamide

C18H18FN3O2 — CID 17223654

IUPAC1-(3-fluorobenzoyl)-N-pyridin-3-ylpiperidine-4-carboxamide
SMILESO=C(Nc1cccnc1)C1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C18H18FN3O2/c19-15-4-1-3-14(11-15)18(24)22-9-6-13(7-10-22)17(23)21-16-5-2-8-20-12-16/h1-5,8,11-13H,6-7,9-10H2,(H,21,23)
InChIKeyGZPOCYLHYZUQSK-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.71
Rot. Bonds3

About 1-(3-fluorobenzoyl)-N-pyridin-3-ylpiperidine-4-carboxamide

1-(3-fluorobenzoyl)-N-pyridin-3-ylpiperidine-4-carboxamide (PubChem CID 17223654) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 1-(3-fluorobenzoyl)-N-pyridin-3-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-fluorobenzoyl)-N-pyridin-3-ylpiperidine-4-carboxamide
PubChem CID17223654
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name1-(3-fluorobenzoyl)-N-pyridin-3-ylpiperidine-4-carboxamide
SMILESO=C(Nc1cccnc1)C1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C18H18FN3O2/c19-15-4-1-3-14(11-15)18(24)22-9-6-13(7-10-22)17(23)21-16-5-2-8-20-12-16/h1-5,8,11-13H,6-7,9-10H2,(H,21,23)
InChIKeyGZPOCYLHYZUQSK-UHFFFAOYSA-N
XLogP2.71
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorobenzoyl)-N-phenylpiperidine-4-carboxamide
CID 17223576
1-benzoyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 110298375
N-(3-fluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113008221
1-(3,4-dichlorobenzoyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 113008225
(3S,5S)-N-(3-fluorophenyl)-1-methyl-5-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
CID 124816164
1-(3-fluorobenzoyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 17223695
N-(3-chloro-4-methylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 17223687
N-[4-(diethylamino)phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 113008104
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 38324789
1-(cyclopropanecarbonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 26086523
N-(4-methoxyphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113007512
N-(2-cyanophenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 17223693

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorobenzoyl)-N-pyridin-3-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(3-fluorobenzoyl)-N-pyridin-3-ylpiperidine-4-carboxamide (CID 17223654) is 1-(3-fluorobenzoyl)-N-pyridin-3-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(3-fluorobenzoyl)-N-pyridin-3-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(3-fluorobenzoyl)-N-pyridin-3-ylpiperidine-4-carboxamide is O=C(Nc1cccnc1)C1CCN(C(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 1-(3-fluorobenzoyl)-N-pyridin-3-ylpiperidine-4-carboxamide?
The InChIKey is GZPOCYLHYZUQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c19-15-4-1-3-14(11-15)18(24)22-9-6-13(7-10-22)17(23)21-16-5-2-8-20-12-16/h1-5,8,11-13H,6-7,9-10H2,(H,21,23).
What are the key properties of 1-(3-fluorobenzoyl)-N-pyridin-3-ylpiperidine-4-carboxamide?
1-(3-fluorobenzoyl)-N-pyridin-3-ylpiperidine-4-carboxamide has a molecular weight of 327.36 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorobenzoyl)-N-pyridin-3-ylpiperidine-4-carboxamide is sourced from PubChem (CID 17223654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).