2-(4-benzoylpiperazin-1-yl)-2-(2-fluorophenyl)acetonitrile

C19H18FN3O — CID 110349512

IUPAC2-(4-benzoylpiperazin-1-yl)-2-(2-fluorophenyl)acetonitrile
SMILESN#CC(c1ccccc1F)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C19H18FN3O/c20-17-9-5-4-8-16(17)18(14-21)22-10-12-23(13-11-22)19(24)15-6-2-1-3-7-15/h1-9,18H,10-13H2
InChIKeyCRKNJDQVFLEZOM-UHFFFAOYSA-N
MW323.37 g/mol
LogP2.85
Rot. Bonds3

About 2-(4-benzoylpiperazin-1-yl)-2-(2-fluorophenyl)acetonitrile

2-(4-benzoylpiperazin-1-yl)-2-(2-fluorophenyl)acetonitrile (PubChem CID 110349512) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-(4-benzoylpiperazin-1-yl)-2-(2-fluorophenyl)acetonitrile.

Molecular Properties

Compound Name2-(4-benzoylpiperazin-1-yl)-2-(2-fluorophenyl)acetonitrile
PubChem CID110349512
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name2-(4-benzoylpiperazin-1-yl)-2-(2-fluorophenyl)acetonitrile
SMILESN#CC(c1ccccc1F)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C19H18FN3O/c20-17-9-5-4-8-16(17)18(14-21)22-10-12-23(13-11-22)19(24)15-6-2-1-3-7-15/h1-9,18H,10-13H2
InChIKeyCRKNJDQVFLEZOM-UHFFFAOYSA-N
XLogP2.85
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]acetonitrile
CID 110349546
2-(2-fluorophenyl)-2-[4-(3-methylbenzoyl)piperazin-1-yl]acetonitrile
CID 110349514
2-(2-fluorophenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetonitrile
CID 110349545
2-(4-benzoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)acetonitrile
CID 110350418
2-[4-(4-bromobenzoyl)piperazin-1-yl]-2-(2-methylphenyl)acetonitrile
CID 110349687
(2S)-2-phenyl-2-[4-(4-phenylbenzoyl)piperazin-1-yl]acetonitrile
CID 51556240
2-(2-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetonitrile
CID 84757087
2-(2-chlorophenyl)-2-[4-(3-methylbenzoyl)piperazin-1-yl]acetonitrile
CID 110350035
2-(2-fluorophenyl)-2-morpholin-4-ylacetonitrile;hydrochloride
CID 45261443
2-(4-benzoylpiperazin-1-yl)butanenitrile
CID 63337423
[4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 776715
2-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetonitrile
CID 84756598

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperazin-1-yl)-2-(2-fluorophenyl)acetonitrile?
The IUPAC name of 2-(4-benzoylpiperazin-1-yl)-2-(2-fluorophenyl)acetonitrile (CID 110349512) is 2-(4-benzoylpiperazin-1-yl)-2-(2-fluorophenyl)acetonitrile.
What is the SMILES notation for 2-(4-benzoylpiperazin-1-yl)-2-(2-fluorophenyl)acetonitrile?
The canonical SMILES for 2-(4-benzoylpiperazin-1-yl)-2-(2-fluorophenyl)acetonitrile is N#CC(c1ccccc1F)N1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 2-(4-benzoylpiperazin-1-yl)-2-(2-fluorophenyl)acetonitrile?
The InChIKey is CRKNJDQVFLEZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c20-17-9-5-4-8-16(17)18(14-21)22-10-12-23(13-11-22)19(24)15-6-2-1-3-7-15/h1-9,18H,10-13H2.
What are the key properties of 2-(4-benzoylpiperazin-1-yl)-2-(2-fluorophenyl)acetonitrile?
2-(4-benzoylpiperazin-1-yl)-2-(2-fluorophenyl)acetonitrile has a molecular weight of 323.37 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpiperazin-1-yl)-2-(2-fluorophenyl)acetonitrile is sourced from PubChem (CID 110349512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).