2-[4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazin-1-yl]pyridine-3-carbonitrile

C22H23FN4O — CID 78829171

IUPAC2-[4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCN(C(=O)C2(c3cccc(F)c3)CCCC2)CC1
InChIInChI=1S/C22H23FN4O/c23-19-7-3-6-18(15-19)22(8-1-2-9-22)21(28)27-13-11-26(12-14-27)20-17(16-24)5-4-10-25-20/h3-7,10,15H,1-2,8-9,11-14H2
InChIKeyMLMILJGCGBWUSY-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.25
Rot. Bonds3

About 2-[4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazin-1-yl]pyridine-3-carbonitrile

2-[4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 78829171) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-[4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID78829171
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name2-[4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCN(C(=O)C2(c3cccc(F)c3)CCCC2)CC1
InChIInChI=1S/C22H23FN4O/c23-19-7-3-6-18(15-19)22(8-1-2-9-22)21(28)27-13-11-26(12-14-27)20-17(16-24)5-4-10-25-20/h3-7,10,15H,1-2,8-9,11-14H2
InChIKeyMLMILJGCGBWUSY-UHFFFAOYSA-N
XLogP3.25
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazin-1-yl]pyridine-3-carbonitrile with MolForge

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Related Compounds

[1-(3-fluorophenyl)cyclopentyl]-(4-methylpiperazin-1-yl)methanone
CID 112759609
[1-(3-fluorophenyl)cyclopentyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 112763147
[1-(3-fluorophenyl)cyclopentyl]-morpholin-4-ylmethanone
CID 112762933
[1-(3-fluorophenyl)cyclopentyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 55331330
6-[1-(3-fluorophenyl)cyclohexanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174632
[4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 55574384
[4-(adamantane-1-carbonyl)piperazin-1-yl]-[1-(3-fluorophenyl)cyclobutyl]methanone
CID 55538682
N-(4-fluorophenyl)-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazine-1-carboxamide
CID 55599636
[1-(3-fluorophenyl)cyclopentyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 55339053
(3,5-dimethylpiperidin-1-yl)-[1-(3-fluorophenyl)cyclopentyl]methanone
CID 55341968
2-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 126770760
[1-(3-fluorophenyl)cyclopentyl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 55341520

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazin-1-yl]pyridine-3-carbonitrile (CID 78829171) is 2-[4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazin-1-yl]pyridine-3-carbonitrile is N#Cc1cccnc1N1CCN(C(=O)C2(c3cccc(F)c3)CCCC2)CC1.
What is the InChIKey of 2-[4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is MLMILJGCGBWUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c23-19-7-3-6-18(15-19)22(8-1-2-9-22)21(28)27-13-11-26(12-14-27)20-17(16-24)5-4-10-25-20/h3-7,10,15H,1-2,8-9,11-14H2.
What are the key properties of 2-[4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazin-1-yl]pyridine-3-carbonitrile?
2-[4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 378.45 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 78829171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).