1-(4-ethylbenzoyl)piperazine-2-carbonitrile

C14H17N3O — CID 79085258

IUPAC1-(4-ethylbenzoyl)piperazine-2-carbonitrile
SMILESCCc1ccc(C(=O)N2CCNCC2C#N)cc1
InChIInChI=1S/C14H17N3O/c1-2-11-3-5-12(6-4-11)14(18)17-8-7-16-10-13(17)9-15/h3-6,13,16H,2,7-8,10H2,1H3
InChIKeyWPIZUUHWMPLJFH-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.19
Rot. Bonds2

About 1-(4-ethylbenzoyl)piperazine-2-carbonitrile

1-(4-ethylbenzoyl)piperazine-2-carbonitrile (PubChem CID 79085258) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(4-ethylbenzoyl)piperazine-2-carbonitrile.

Molecular Properties

Compound Name1-(4-ethylbenzoyl)piperazine-2-carbonitrile
PubChem CID79085258
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-(4-ethylbenzoyl)piperazine-2-carbonitrile
SMILESCCc1ccc(C(=O)N2CCNCC2C#N)cc1
InChIInChI=1S/C14H17N3O/c1-2-11-3-5-12(6-4-11)14(18)17-8-7-16-10-13(17)9-15/h3-6,13,16H,2,7-8,10H2,1H3
InChIKeyWPIZUUHWMPLJFH-UHFFFAOYSA-N
XLogP1.19
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-ethylbenzoyl)piperazine-2-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

1-(4-methoxybenzoyl)piperazine-2-carbonitrile
CID 79085900
(4-ethylphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705638
1-(3-fluoro-4-methylbenzoyl)piperazine-2-carbonitrile
CID 79086259
1-(1,3-dihydro-2-benzofuran-5-carbonyl)piperazine-2-carbonitrile
CID 79086360
1-(3-fluoro-4-methoxybenzoyl)piperazine-2-carbonitrile
CID 79086554
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120740508
1-[3-(4-methylphenyl)propanoyl]piperazine-2-carbonitrile
CID 79085483
1-(2-oxo-1,3-dihydroindole-6-carbonyl)piperazine-2-carbonitrile
CID 102711618
1-(quinoline-6-carbonyl)piperazine-2-carbonitrile
CID 79086471
(4-ethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120733353
1-(4-fluoro-2-hydroxybenzoyl)piperazine-2-carbonitrile
CID 107015971
[2-(4-ethylphenyl)piperazin-1-yl]-[4-(oxan-4-yloxy)phenyl]methanone
CID 120740228

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylbenzoyl)piperazine-2-carbonitrile?
The IUPAC name of 1-(4-ethylbenzoyl)piperazine-2-carbonitrile (CID 79085258) is 1-(4-ethylbenzoyl)piperazine-2-carbonitrile.
What is the SMILES notation for 1-(4-ethylbenzoyl)piperazine-2-carbonitrile?
The canonical SMILES for 1-(4-ethylbenzoyl)piperazine-2-carbonitrile is CCc1ccc(C(=O)N2CCNCC2C#N)cc1.
What is the InChIKey of 1-(4-ethylbenzoyl)piperazine-2-carbonitrile?
The InChIKey is WPIZUUHWMPLJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-11-3-5-12(6-4-11)14(18)17-8-7-16-10-13(17)9-15/h3-6,13,16H,2,7-8,10H2,1H3.
What are the key properties of 1-(4-ethylbenzoyl)piperazine-2-carbonitrile?
1-(4-ethylbenzoyl)piperazine-2-carbonitrile has a molecular weight of 243.31 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylbenzoyl)piperazine-2-carbonitrile is sourced from PubChem (CID 79085258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).