[3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-2-ylmethanone

C23H22FN3O — CID 110264021

IUPAC[3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCCC(c2ccc(Cc3ccc(F)cc3)cn2)C1
InChIInChI=1S/C23H22FN3O/c24-20-9-6-17(7-10-20)14-18-8-11-21(26-15-18)19-4-3-13-27(16-19)23(28)22-5-1-2-12-25-22/h1-2,5-12,15,19H,3-4,13-14,16H2
InChIKeyPIDXFKXJRQKLOR-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.23
Rot. Bonds4

About [3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-2-ylmethanone

[3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 110264021) has the molecular formula C23H22FN3O and a molecular weight of 375.45 g/mol. Its IUPAC name is [3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-2-ylmethanone
PubChem CID110264021
Molecular FormulaC23H22FN3O
Molecular Weight375.45 g/mol
Exact Mass375.17
IUPAC Name[3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCCC(c2ccc(Cc3ccc(F)cc3)cn2)C1
InChIInChI=1S/C23H22FN3O/c24-20-9-6-17(7-10-20)14-18-8-11-21(26-15-18)19-4-3-13-27(16-19)23(28)22-5-1-2-12-25-22/h1-2,5-12,15,19H,3-4,13-14,16H2
InChIKeyPIDXFKXJRQKLOR-UHFFFAOYSA-N
XLogP4.23
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 95107364
[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 70775154
[3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 110119365
N-(2-fluorophenyl)-2-[(3S)-3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]acetamide
CID 92615559
[4-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 92616678
3-[6-[1-(pyridine-2-carbonyl)piperidin-3-yl]-3-pyridinyl]benzamide
CID 110263833
3-[3-(5-benzyl-2-pyridinyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one
CID 110264100
N-cyclohexyl-2-[3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-methylacetamide
CID 110093298
[3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone
CID 110151388
(1,3-dimethylpyrazol-4-yl)-[(3S)-3-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 92615597
[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 24790572
(3-aminopiperidin-1-yl)-pyridin-2-ylmethanone
CID 61295902

Frequently Asked Questions

What is the IUPAC name of [3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-2-ylmethanone (CID 110264021) is [3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)N1CCCC(c2ccc(Cc3ccc(F)cc3)cn2)C1.
What is the InChIKey of [3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is PIDXFKXJRQKLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O/c24-20-9-6-17(7-10-20)14-18-8-11-21(26-15-18)19-4-3-13-27(16-19)23(28)22-5-1-2-12-25-22/h1-2,5-12,15,19H,3-4,13-14,16H2.
What are the key properties of [3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-2-ylmethanone?
[3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 375.45 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 110264021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).