2-(2-fluorophenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]acetonitrile

C18H17FN4O — CID 110349546

IUPAC2-(2-fluorophenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]acetonitrile
SMILESN#CC(c1ccccc1F)N1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C18H17FN4O/c19-16-4-2-1-3-15(16)17(13-20)22-9-11-23(12-10-22)18(24)14-5-7-21-8-6-14/h1-8,17H,9-12H2
InChIKeyOGWWBGQMIYJKNT-UHFFFAOYSA-N
MW324.36 g/mol
LogP2.24
Rot. Bonds3

About 2-(2-fluorophenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]acetonitrile

2-(2-fluorophenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]acetonitrile (PubChem CID 110349546) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-(2-fluorophenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]acetonitrile
PubChem CID110349546
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name2-(2-fluorophenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]acetonitrile
SMILESN#CC(c1ccccc1F)N1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C18H17FN4O/c19-16-4-2-1-3-15(16)17(13-20)22-9-11-23(12-10-22)18(24)14-5-7-21-8-6-14/h1-8,17H,9-12H2
InChIKeyOGWWBGQMIYJKNT-UHFFFAOYSA-N
XLogP2.24
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzoylpiperazin-1-yl)-2-(2-fluorophenyl)acetonitrile
CID 110349512
2-(2-fluorophenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetonitrile
CID 110349545
2-(2-fluorophenyl)-2-[4-(3-methylbenzoyl)piperazin-1-yl]acetonitrile
CID 110349514
2-[4-(pyridine-4-carbonyl)piperazin-1-yl]-2-thiophen-2-ylacetonitrile
CID 110349439
2-(4-chlorophenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]acetonitrile
CID 110350201
2-(3-bromophenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]acetonitrile
CID 110291770
2-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetonitrile
CID 84756598
2-[4-(4-bromobenzoyl)piperazin-1-yl]-2-(2-methylphenyl)acetonitrile
CID 110349687
2-(2-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetonitrile
CID 84756586
2-(2-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetonitrile
CID 84757087
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
(2S)-2-phenyl-2-[4-(4-phenylbenzoyl)piperazin-1-yl]acetonitrile
CID 51556240

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]acetonitrile?
The IUPAC name of 2-(2-fluorophenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]acetonitrile (CID 110349546) is 2-(2-fluorophenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]acetonitrile.
What is the SMILES notation for 2-(2-fluorophenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]acetonitrile?
The canonical SMILES for 2-(2-fluorophenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]acetonitrile is N#CC(c1ccccc1F)N1CCN(C(=O)c2ccncc2)CC1.
What is the InChIKey of 2-(2-fluorophenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]acetonitrile?
The InChIKey is OGWWBGQMIYJKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c19-16-4-2-1-3-15(16)17(13-20)22-9-11-23(12-10-22)18(24)14-5-7-21-8-6-14/h1-8,17H,9-12H2.
What are the key properties of 2-(2-fluorophenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]acetonitrile?
2-(2-fluorophenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]acetonitrile has a molecular weight of 324.36 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]acetonitrile is sourced from PubChem (CID 110349546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).