N-(2-cyanophenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide

C20H22N4O — CID 113106907

IUPACN-(2-cyanophenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCc1cccc(CN2CCN(C(=O)Nc3ccccc3C#N)CC2)c1
InChIInChI=1S/C20H22N4O/c1-16-5-4-6-17(13-16)15-23-9-11-24(12-10-23)20(25)22-19-8-3-2-7-18(19)14-21/h2-8,13H,9-12,15H2,1H3,(H,22,25)
InChIKeyUYUBOKACLKCPBI-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.22
Rot. Bonds3

About N-(2-cyanophenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide

N-(2-cyanophenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide (PubChem CID 113106907) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(2-cyanophenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
PubChem CID113106907
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-(2-cyanophenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCc1cccc(CN2CCN(C(=O)Nc3ccccc3C#N)CC2)c1
InChIInChI=1S/C20H22N4O/c1-16-5-4-6-17(13-16)15-23-9-11-24(12-10-23)20(25)22-19-8-3-2-7-18(19)14-21/h2-8,13H,9-12,15H2,1H3,(H,22,25)
InChIKeyUYUBOKACLKCPBI-UHFFFAOYSA-N
XLogP3.22
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(3-chlorophenyl)ethyl]-N-(2-cyanophenyl)piperazine-1-carboxamide
CID 113110972
N-(2-cyanophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110160
N-(2-cyanophenyl)-4-pentylpiperazine-1-carboxamide
CID 113110841
N-(3-acetamidophenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106879
N-(2-cyanophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111543
3-[[4-[(3-methylphenyl)carbamoyl]piperazin-1-yl]methyl]benzoic acid
CID 122028905
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(2-cyanophenyl)acetamide
CID 9258582
N-(3-chloro-4-methylphenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106860
N-(2-cyanophenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113008728
N-(2-cyanophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 2100948
N-(2-chlorophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide
CID 6466390
N-(2-cyanophenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109297

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide (CID 113106907) is N-(2-cyanophenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide is Cc1cccc(CN2CCN(C(=O)Nc3ccccc3C#N)CC2)c1.
What is the InChIKey of N-(2-cyanophenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is UYUBOKACLKCPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-16-5-4-6-17(13-16)15-23-9-11-24(12-10-23)20(25)22-19-8-3-2-7-18(19)14-21/h2-8,13H,9-12,15H2,1H3,(H,22,25).
What are the key properties of N-(2-cyanophenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide?
N-(2-cyanophenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 113106907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).