1-(4-fluorobenzoyl)-N-(5-phenyl-2-pyridinyl)piperidine-3-carboxamide

C24H22FN3O2 — CID 55952573

IUPAC1-(4-fluorobenzoyl)-N-(5-phenyl-2-pyridinyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cn1)C1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C24H22FN3O2/c25-21-11-8-18(9-12-21)24(30)28-14-4-7-20(16-28)23(29)27-22-13-10-19(15-26-22)17-5-2-1-3-6-17/h1-3,5-6,8-13,15,20H,4,7,14,16H2,(H,26,27,29)
InChIKeyNFXMGUYHOWADFO-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.38
Rot. Bonds4

About 1-(4-fluorobenzoyl)-N-(5-phenyl-2-pyridinyl)piperidine-3-carboxamide

1-(4-fluorobenzoyl)-N-(5-phenyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 55952573) has the molecular formula C24H22FN3O2 and a molecular weight of 403.46 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-N-(5-phenyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-N-(5-phenyl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID55952573
Molecular FormulaC24H22FN3O2
Molecular Weight403.46 g/mol
Exact Mass403.17
IUPAC Name1-(4-fluorobenzoyl)-N-(5-phenyl-2-pyridinyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cn1)C1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C24H22FN3O2/c25-21-11-8-18(9-12-21)24(30)28-14-4-7-20(16-28)23(29)27-22-13-10-19(15-26-22)17-5-2-1-3-6-17/h1-3,5-6,8-13,15,20H,4,7,14,16H2,(H,26,27,29)
InChIKeyNFXMGUYHOWADFO-UHFFFAOYSA-N
XLogP4.38
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[3-(4-fluorophenyl)phenyl]-1-(6-methylpyridine-3-carbonyl)piperidine-3-carboxamide
CID 42401368
(3S)-1-(4-fluorobenzoyl)-N-(3-hydroxy-2-pyridinyl)piperidine-3-carboxamide
CID 30162435
(3R)-1-(4-fluorobenzoyl)-N-(3-hydroxy-2-pyridinyl)piperidine-3-carboxamide
CID 30162433
N-(2-chlorophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51272015
N-[4-(3-fluorophenyl)phenyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 45208634
(3S)-1-(4-chlorobenzoyl)-N-(4-phenylphenyl)piperidine-3-carboxamide
CID 2542955
(3S)-N-(2-tert-butylpyrimidin-5-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 95233341
N-(2,4-difluorophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51272463
(3S)-N-(5-methyl-2-pyridinyl)-1-(naphthalene-2-carbonyl)piperidine-3-carboxamide
CID 51959952
(3R)-N-cyclopentyl-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 25392682
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
1-(4-fluorobenzoyl)piperidine-3-carbohydrazide
CID 54793956

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-N-(5-phenyl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-fluorobenzoyl)-N-(5-phenyl-2-pyridinyl)piperidine-3-carboxamide (CID 55952573) is 1-(4-fluorobenzoyl)-N-(5-phenyl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorobenzoyl)-N-(5-phenyl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorobenzoyl)-N-(5-phenyl-2-pyridinyl)piperidine-3-carboxamide is O=C(Nc1ccc(-c2ccccc2)cn1)C1CCCN(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorobenzoyl)-N-(5-phenyl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is NFXMGUYHOWADFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O2/c25-21-11-8-18(9-12-21)24(30)28-14-4-7-20(16-28)23(29)27-22-13-10-19(15-26-22)17-5-2-1-3-6-17/h1-3,5-6,8-13,15,20H,4,7,14,16H2,(H,26,27,29).
What are the key properties of 1-(4-fluorobenzoyl)-N-(5-phenyl-2-pyridinyl)piperidine-3-carboxamide?
1-(4-fluorobenzoyl)-N-(5-phenyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 403.46 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-N-(5-phenyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 55952573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).