2-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]benzonitrile

C24H20FN3O — CID 51197855

IUPAC2-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H20FN3O/c25-19-9-11-20(12-10-19)27-13-15-28(16-14-27)24(29)23-8-4-3-7-22(23)21-6-2-1-5-18(21)17-26/h1-12H,13-16H2
InChIKeyNPBDRBCJDYGCEL-UHFFFAOYSA-N
MW385.44 g/mol
LogP4.33
Rot. Bonds3

About 2-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]benzonitrile

2-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]benzonitrile (PubChem CID 51197855) has the molecular formula C24H20FN3O and a molecular weight of 385.44 g/mol. Its IUPAC name is 2-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]benzonitrile
PubChem CID51197855
Molecular FormulaC24H20FN3O
Molecular Weight385.44 g/mol
Exact Mass385.16
IUPAC Name2-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H20FN3O/c25-19-9-11-20(12-10-19)27-13-15-28(16-14-27)24(29)23-8-4-3-7-22(23)21-6-2-1-5-18(21)17-26/h1-12H,13-16H2
InChIKeyNPBDRBCJDYGCEL-UHFFFAOYSA-N
XLogP4.33
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]phenyl]benzonitrile
CID 38045798
(2-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 798980
2-[4-(4-fluorobenzoyl)piperazin-1-yl]benzonitrile
CID 113080805
2-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]benzonitrile
CID 111561000
2-[2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbonyl)phenyl]benzonitrile
CID 112815442
2-[4-[2-(2-cyanophenyl)benzoyl]piperazin-1-yl]-N-ethylacetamide
CID 39569290
[4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1H-benzimidazol-4-yl)methanone
CID 110701031
2-[2-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazine-1-carbonyl]phenyl]benzonitrile
CID 26009658
(3-amino-2-methylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 28723150
2-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzonitrile
CID 51197764
[4-(4-fluorophenyl)piperazin-1-yl]-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 84575308
N-(2-cyanophenyl)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108978245

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]benzonitrile?
The IUPAC name of 2-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]benzonitrile (CID 51197855) is 2-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]benzonitrile.
What is the SMILES notation for 2-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]benzonitrile?
The canonical SMILES for 2-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]benzonitrile is N#Cc1ccccc1-c1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]benzonitrile?
The InChIKey is NPBDRBCJDYGCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O/c25-19-9-11-20(12-10-19)27-13-15-28(16-14-27)24(29)23-8-4-3-7-22(23)21-6-2-1-5-18(21)17-26/h1-12H,13-16H2.
What are the key properties of 2-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]benzonitrile?
2-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]benzonitrile has a molecular weight of 385.44 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]benzonitrile is sourced from PubChem (CID 51197855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).