4-(4-cyanophenyl)-N-(3,5-dimethylphenyl)piperazine-1-carboxamide

C20H22N4O — CID 113111826

IUPAC4-(4-cyanophenyl)-N-(3,5-dimethylphenyl)piperazine-1-carboxamide
SMILESCc1cc(C)cc(NC(=O)N2CCN(c3ccc(C#N)cc3)CC2)c1
InChIInChI=1S/C20H22N4O/c1-15-11-16(2)13-18(12-15)22-20(25)24-9-7-23(8-10-24)19-5-3-17(14-21)4-6-19/h3-6,11-13H,7-10H2,1-2H3,(H,22,25)
InChIKeyUHNSKTNILYRFNU-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.53
Rot. Bonds2

About 4-(4-cyanophenyl)-N-(3,5-dimethylphenyl)piperazine-1-carboxamide

4-(4-cyanophenyl)-N-(3,5-dimethylphenyl)piperazine-1-carboxamide (PubChem CID 113111826) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-(4-cyanophenyl)-N-(3,5-dimethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-cyanophenyl)-N-(3,5-dimethylphenyl)piperazine-1-carboxamide
PubChem CID113111826
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name4-(4-cyanophenyl)-N-(3,5-dimethylphenyl)piperazine-1-carboxamide
SMILESCc1cc(C)cc(NC(=O)N2CCN(c3ccc(C#N)cc3)CC2)c1
InChIInChI=1S/C20H22N4O/c1-15-11-16(2)13-18(12-15)22-20(25)24-9-7-23(8-10-24)19-5-3-17(14-21)4-6-19/h3-6,11-13H,7-10H2,1-2H3,(H,22,25)
InChIKeyUHNSKTNILYRFNU-UHFFFAOYSA-N
XLogP3.53
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-cyanophenyl)-N-phenylpiperazine-1-carboxamide
CID 113081072
4-(4-cyanophenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 23799232
4-(3-cyanophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 113111248
methyl 3-[[4-(4-cyanophenyl)piperazine-1-carbonyl]amino]benzoate
CID 3810265
N-(4-chloro-2-methylphenyl)-4-(4-cyanophenyl)piperazine-1-carboxamide
CID 113113234
4-(3-cyanophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113111408
N,4-bis(4-methylphenyl)piperazine-1-carboxamide
CID 113111254
N-(4-bromo-2-fluorophenyl)-4-(4-cyanophenyl)piperazine-1-carboxamide
CID 3860163
N-(4-acetamidophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111755
N-(3-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111218
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(4-cyanophenyl)piperazine-1-carboxamide
CID 74227984
N-(4-chlorophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111729

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyanophenyl)-N-(3,5-dimethylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-cyanophenyl)-N-(3,5-dimethylphenyl)piperazine-1-carboxamide (CID 113111826) is 4-(4-cyanophenyl)-N-(3,5-dimethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-cyanophenyl)-N-(3,5-dimethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-cyanophenyl)-N-(3,5-dimethylphenyl)piperazine-1-carboxamide is Cc1cc(C)cc(NC(=O)N2CCN(c3ccc(C#N)cc3)CC2)c1.
What is the InChIKey of 4-(4-cyanophenyl)-N-(3,5-dimethylphenyl)piperazine-1-carboxamide?
The InChIKey is UHNSKTNILYRFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-15-11-16(2)13-18(12-15)22-20(25)24-9-7-23(8-10-24)19-5-3-17(14-21)4-6-19/h3-6,11-13H,7-10H2,1-2H3,(H,22,25).
What are the key properties of 4-(4-cyanophenyl)-N-(3,5-dimethylphenyl)piperazine-1-carboxamide?
4-(4-cyanophenyl)-N-(3,5-dimethylphenyl)piperazine-1-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyanophenyl)-N-(3,5-dimethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113111826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).