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

C18H17FN4O — CID 134032363

IUPAC2-[4-(2-acetyl-3-fluorophenyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESCC(=O)c1c(F)cccc1N1CCN(c2ncccc2C#N)CC1
InChIInChI=1S/C18H17FN4O/c1-13(24)17-15(19)5-2-6-16(17)22-8-10-23(11-9-22)18-14(12-20)4-3-7-21-18/h2-7H,8-11H2,1H3
InChIKeySKKPWYGFDSWONP-UHFFFAOYSA-N
MW324.36 g/mol
LogP2.62
Rot. Bonds3

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

2-[4-(2-acetyl-3-fluorophenyl)piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 134032363) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is 2-[4-(2-acetyl-3-fluorophenyl)piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(2-acetyl-3-fluorophenyl)piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID134032363
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name2-[4-(2-acetyl-3-fluorophenyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESCC(=O)c1c(F)cccc1N1CCN(c2ncccc2C#N)CC1
InChIInChI=1S/C18H17FN4O/c1-13(24)17-15(19)5-2-6-16(17)22-8-10-23(11-9-22)18-14(12-20)4-3-7-21-18/h2-7H,8-11H2,1H3
InChIKeySKKPWYGFDSWONP-UHFFFAOYSA-N
XLogP2.62
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 55456080
1-(2-fluoro-6-thiomorpholin-4-ylphenyl)ethanone
CID 28787522
2-[4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 110897687
1-[4-(2-acetyl-3-fluorophenyl)piperazin-1-yl]propan-1-one
CID 133285215
2-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]benzoic acid
CID 2812107
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 31618852
2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 78845359
1-[2-fluoro-6-[4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]phenyl]ethanone
CID 125130888
1-[2-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-6-fluorophenyl]ethanone;dihydrochloride
CID 167936540
2-[4-(3-methoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 2812131
2-[4-(3-tert-butylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 58989779
tert-butyl 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]propanoate
CID 122141420

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-acetyl-3-fluorophenyl)piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-(2-acetyl-3-fluorophenyl)piperazin-1-yl]pyridine-3-carbonitrile (CID 134032363) is 2-[4-(2-acetyl-3-fluorophenyl)piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-(2-acetyl-3-fluorophenyl)piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-(2-acetyl-3-fluorophenyl)piperazin-1-yl]pyridine-3-carbonitrile is CC(=O)c1c(F)cccc1N1CCN(c2ncccc2C#N)CC1.
What is the InChIKey of 2-[4-(2-acetyl-3-fluorophenyl)piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is SKKPWYGFDSWONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c1-13(24)17-15(19)5-2-6-16(17)22-8-10-23(11-9-22)18-14(12-20)4-3-7-21-18/h2-7H,8-11H2,1H3.
What are the key properties of 2-[4-(2-acetyl-3-fluorophenyl)piperazin-1-yl]pyridine-3-carbonitrile?
2-[4-(2-acetyl-3-fluorophenyl)piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 324.36 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-acetyl-3-fluorophenyl)piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 134032363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).