4-(3-cyanophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide

C19H20N4O — CID 113111408

IUPAC4-(3-cyanophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3cccc(C#N)c3)CC2)cc1
InChIInChI=1S/C19H20N4O/c1-15-5-7-17(8-6-15)21-19(24)23-11-9-22(10-12-23)18-4-2-3-16(13-18)14-20/h2-8,13H,9-12H2,1H3,(H,21,24)
InChIKeyKVVCKNSOVLLPJQ-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.22
Rot. Bonds2

About 4-(3-cyanophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide

4-(3-cyanophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide (PubChem CID 113111408) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 4-(3-cyanophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-cyanophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide
PubChem CID113111408
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name4-(3-cyanophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3cccc(C#N)c3)CC2)cc1
InChIInChI=1S/C19H20N4O/c1-15-5-7-17(8-6-15)21-19(24)23-11-9-22(10-12-23)18-4-2-3-16(13-18)14-20/h2-8,13H,9-12H2,1H3,(H,21,24)
InChIKeyKVVCKNSOVLLPJQ-UHFFFAOYSA-N
XLogP3.22
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3-cyanophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide 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

4-(3-cyanophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 113111248
4-(3-cyanophenyl)-N-(3,4-difluorophenyl)piperazine-1-carboxamide
CID 113114880
4-(3-cyanophenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113113611
N,4-bis(4-methylphenyl)piperazine-1-carboxamide
CID 113111254
4-(3-cyanophenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 113112068
4-(4-cyanophenyl)-N-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111826
N-butan-2-yl-4-(3-cyanophenyl)piperazine-1-carboxamide
CID 113104404
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
4-(3-cyanophenyl)-N-cyclopentylpiperazine-1-carboxamide
CID 113104573
4-(4-cyanophenyl)-N-phenylpiperazine-1-carboxamide
CID 113081072
3-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzonitrile
CID 113080898
3-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]benzonitrile
CID 113080956

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyanophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-cyanophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide (CID 113111408) is 4-(3-cyanophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-cyanophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-cyanophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(c3cccc(C#N)c3)CC2)cc1.
What is the InChIKey of 4-(3-cyanophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide?
The InChIKey is KVVCKNSOVLLPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-15-5-7-17(8-6-15)21-19(24)23-11-9-22(10-12-23)18-4-2-3-16(13-18)14-20/h2-8,13H,9-12H2,1H3,(H,21,24).
What are the key properties of 4-(3-cyanophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide?
4-(3-cyanophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyanophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113111408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).