N-(2-cyanophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide

C20H22N4O — CID 113111543

IUPACN-(2-cyanophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(C)c(N2CCN(C(=O)Nc3ccccc3C#N)CC2)c1
InChIInChI=1S/C20H22N4O/c1-15-7-8-16(2)19(13-15)23-9-11-24(12-10-23)20(25)22-18-6-4-3-5-17(18)14-21/h3-8,13H,9-12H2,1-2H3,(H,22,25)
InChIKeyCWAYCEANFZEZNY-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.53
Rot. Bonds2

About N-(2-cyanophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide

N-(2-cyanophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide (PubChem CID 113111543) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(2-cyanophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
PubChem CID113111543
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-(2-cyanophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(C)c(N2CCN(C(=O)Nc3ccccc3C#N)CC2)c1
InChIInChI=1S/C20H22N4O/c1-15-7-8-16(2)19(13-15)23-9-11-24(12-10-23)20(25)22-18-6-4-3-5-17(18)14-21/h3-8,13H,9-12H2,1-2H3,(H,22,25)
InChIKeyCWAYCEANFZEZNY-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

N-(2-cyanophenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106907
4-(4-acetylphenyl)-N-(2-cyanophenyl)piperazine-1-carboxamide
CID 113114212
4-(4-tert-butylphenyl)-N-(2-cyanophenyl)piperazine-1-carboxamide
CID 113112681
4-(5-chloro-2-methylphenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 6467007
4-(2-cyanophenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 3758236
N-(2,4-dimethylphenyl)-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113111461
4-(2-cyanophenyl)-N-(2,4-dibromophenyl)piperazine-1-carboxamide
CID 3815113
N-(2-cyanophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 113113758
N-(5-chloro-2,4-dimethoxyphenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 3404420
4-(2,5-dimethylphenyl)-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111533
N-(2-cyanophenyl)-4-pentylpiperazine-1-carboxamide
CID 113110841
N-(3,4-difluorophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111547

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide (CID 113111543) is N-(2-cyanophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide is Cc1ccc(C)c(N2CCN(C(=O)Nc3ccccc3C#N)CC2)c1.
What is the InChIKey of N-(2-cyanophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide?
The InChIKey is CWAYCEANFZEZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-15-7-8-16(2)19(13-15)23-9-11-24(12-10-23)20(25)22-18-6-4-3-5-17(18)14-21/h3-8,13H,9-12H2,1-2H3,(H,22,25).
What are the key properties of N-(2-cyanophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide?
N-(2-cyanophenyl)-4-(2,5-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 N-(2-cyanophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113111543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).