[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone

C21H25FN4O — CID 24790572

IUPAC[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCCC(N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C21H25FN4O/c22-17-6-8-18(9-7-17)24-12-14-25(15-13-24)19-4-3-11-26(16-19)21(27)20-5-1-2-10-23-20/h1-2,5-10,19H,3-4,11-16H2
InChIKeyQKNLPTOFEMBLQL-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.65
Rot. Bonds3

About [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone

[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 24790572) has the molecular formula C21H25FN4O and a molecular weight of 368.46 g/mol. Its IUPAC name is [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone
PubChem CID24790572
Molecular FormulaC21H25FN4O
Molecular Weight368.46 g/mol
Exact Mass368.20
IUPAC Name[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCCC(N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C21H25FN4O/c22-17-6-8-18(9-7-17)24-12-14-25(15-13-24)19-4-3-11-26(16-19)21(27)20-5-1-2-10-23-20/h1-2,5-10,19H,3-4,11-16H2
InChIKeyQKNLPTOFEMBLQL-UHFFFAOYSA-N
XLogP2.65
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 42532010
[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 24719086
[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2,4,5-trifluorophenyl)methanone
CID 42241698
cyclobutyl-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 92986014
(3-hydroxy-2-pyridinyl)-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone
CID 95707922
[4-(1-phenylpyrrolidin-3-yl)-1,4-diazepan-1-yl]-pyridin-2-ylmethanone
CID 138382454
[4-(dimethylamino)phenyl]-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 25288503
3,3,3-trifluoro-1-[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one
CID 25288759
(2,4-dimethylphenyl)-[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 42513573
[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(1-hydroxycyclopentyl)methanone
CID 95722350
3-(benzimidazol-1-yl)-1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one
CID 45252749
(3-aminopiperidin-1-yl)-pyridin-2-ylmethanone
CID 61295902

Frequently Asked Questions

What is the IUPAC name of [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone (CID 24790572) is [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)N1CCCC(N2CCN(c3ccc(F)cc3)CC2)C1.
What is the InChIKey of [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is QKNLPTOFEMBLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O/c22-17-6-8-18(9-7-17)24-12-14-25(15-13-24)19-4-3-11-26(16-19)21(27)20-5-1-2-10-23-20/h1-2,5-10,19H,3-4,11-16H2.
What are the key properties of [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone?
[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 368.46 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 24790572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).