2-fluoro-6-[4-(3-methoxybenzoyl)piperazin-1-yl]benzonitrile

C19H18FN3O2 — CID 36724822

IUPAC2-fluoro-6-[4-(3-methoxybenzoyl)piperazin-1-yl]benzonitrile
SMILESCOc1cccc(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)c1
InChIInChI=1S/C19H18FN3O2/c1-25-15-5-2-4-14(12-15)19(24)23-10-8-22(9-11-23)18-7-3-6-17(20)16(18)13-21/h2-7,12H,8-11H2,1H3
InChIKeyCEHZFKQWDHDVKK-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.67
Rot. Bonds3

About 2-fluoro-6-[4-(3-methoxybenzoyl)piperazin-1-yl]benzonitrile

2-fluoro-6-[4-(3-methoxybenzoyl)piperazin-1-yl]benzonitrile (PubChem CID 36724822) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 2-fluoro-6-[4-(3-methoxybenzoyl)piperazin-1-yl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[4-(3-methoxybenzoyl)piperazin-1-yl]benzonitrile
PubChem CID36724822
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name2-fluoro-6-[4-(3-methoxybenzoyl)piperazin-1-yl]benzonitrile
SMILESCOc1cccc(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)c1
InChIInChI=1S/C19H18FN3O2/c1-25-15-5-2-4-14(12-15)19(24)23-10-8-22(9-11-23)18-7-3-6-17(20)16(18)13-21/h2-7,12H,8-11H2,1H3
InChIKeyCEHZFKQWDHDVKK-UHFFFAOYSA-N
XLogP2.67
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-6-[4-(3-methoxybenzoyl)piperazin-1-yl]benzonitrile 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-fluoro-6-[4-(3-fluorobenzoyl)piperazin-1-yl]benzonitrile
CID 38618980
[4-(2-fluorobenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 776701
2-[4-(3-methoxybenzoyl)piperazin-1-yl]-5-nitrobenzonitrile
CID 36724756
4-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]benzonitrile
CID 38046638
2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-6-fluorobenzonitrile
CID 33284080
2-fluoro-6-[4-(2-methoxy-5-nitrobenzoyl)piperazin-1-yl]benzonitrile
CID 33277567
tert-butyl 4-(2-cyano-3-fluorophenyl)piperazine-1-carboxylate
CID 51111672
[4-(2,5-dimethylphenyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 113075435
2-[4-(3-methoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 2812131
2-fluoro-6-[4-[4-(5-methylpyrazol-1-yl)benzoyl]piperazin-1-yl]benzonitrile
CID 38617731
ethyl 2-[4-(3-methoxybenzoyl)piperazin-1-yl]benzoate
CID 113080742
5-[4-(3-methoxybenzoyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 133290837

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[4-(3-methoxybenzoyl)piperazin-1-yl]benzonitrile?
The IUPAC name of 2-fluoro-6-[4-(3-methoxybenzoyl)piperazin-1-yl]benzonitrile (CID 36724822) is 2-fluoro-6-[4-(3-methoxybenzoyl)piperazin-1-yl]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[4-(3-methoxybenzoyl)piperazin-1-yl]benzonitrile?
The canonical SMILES for 2-fluoro-6-[4-(3-methoxybenzoyl)piperazin-1-yl]benzonitrile is COc1cccc(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)c1.
What is the InChIKey of 2-fluoro-6-[4-(3-methoxybenzoyl)piperazin-1-yl]benzonitrile?
The InChIKey is CEHZFKQWDHDVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-25-15-5-2-4-14(12-15)19(24)23-10-8-22(9-11-23)18-7-3-6-17(20)16(18)13-21/h2-7,12H,8-11H2,1H3.
What are the key properties of 2-fluoro-6-[4-(3-methoxybenzoyl)piperazin-1-yl]benzonitrile?
2-fluoro-6-[4-(3-methoxybenzoyl)piperazin-1-yl]benzonitrile has a molecular weight of 339.37 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[4-(3-methoxybenzoyl)piperazin-1-yl]benzonitrile is sourced from PubChem (CID 36724822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).