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

C19H20N4O — CID 113111248

IUPAC4-(3-cyanophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCN(c3cccc(C#N)c3)CC2)c1
InChIInChI=1S/C19H20N4O/c1-15-4-2-6-17(12-15)21-19(24)23-10-8-22(9-11-23)18-7-3-5-16(13-18)14-20/h2-7,12-13H,8-11H2,1H3,(H,21,24)
InChIKeyVYPJINVTKSFBRH-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.22
Rot. Bonds2

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

4-(3-cyanophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide (PubChem CID 113111248) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 4-(3-cyanophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-cyanophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
PubChem CID113111248
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name4-(3-cyanophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCN(c3cccc(C#N)c3)CC2)c1
InChIInChI=1S/C19H20N4O/c1-15-4-2-6-17(12-15)21-19(24)23-10-8-22(9-11-23)18-7-3-5-16(13-18)14-20/h2-7,12-13H,8-11H2,1H3,(H,21,24)
InChIKeyVYPJINVTKSFBRH-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

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Related Compounds

4-(3-cyanophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113111408
4-(3-cyanophenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113113611
4-(3-cyanophenyl)-N-(3,4-difluorophenyl)piperazine-1-carboxamide
CID 113114880
4-(3-methoxyphenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 16645833
N-(3-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111218
4-(3-methylphenyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide
CID 56505268
4-(4-chlorophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 851976
4-(4-cyanophenyl)-N-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111826
4-(3-cyanophenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 113112068
3-[[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]amino]benzonitrile
CID 109029354
3-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]benzonitrile
CID 113080956
N-butan-2-yl-4-(3-cyanophenyl)piperazine-1-carboxamide
CID 113104404

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyanophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-cyanophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide (CID 113111248) is 4-(3-cyanophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-cyanophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-cyanophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide is Cc1cccc(NC(=O)N2CCN(c3cccc(C#N)c3)CC2)c1.
What is the InChIKey of 4-(3-cyanophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide?
The InChIKey is VYPJINVTKSFBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-15-4-2-6-17(12-15)21-19(24)23-10-8-22(9-11-23)18-7-3-5-16(13-18)14-20/h2-7,12-13H,8-11H2,1H3,(H,21,24).
What are the key properties of 4-(3-cyanophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide?
4-(3-cyanophenyl)-N-(3-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-(3-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113111248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).