2-[4-(2-cyanophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide

C20H22N4O — CID 11724450

IUPAC2-[4-(2-cyanophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2CCN(c3ccccc3C#N)CC2)c1
InChIInChI=1S/C20H22N4O/c1-16-5-4-7-18(13-16)22-20(25)15-23-9-11-24(12-10-23)19-8-3-2-6-17(19)14-21/h2-8,13H,9-12,15H2,1H3,(H,22,25)
InChIKeyIPAGYDFLTXLPDA-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.63
Rot. Bonds4

About 2-[4-(2-cyanophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide

2-[4-(2-cyanophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide (PubChem CID 11724450) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[4-(2-cyanophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-cyanophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
PubChem CID11724450
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2-[4-(2-cyanophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2CCN(c3ccccc3C#N)CC2)c1
InChIInChI=1S/C20H22N4O/c1-16-5-4-7-18(13-16)22-20(25)15-23-9-11-24(12-10-23)19-8-3-2-6-17(19)14-21/h2-8,13H,9-12,15H2,1H3,(H,22,25)
InChIKeyIPAGYDFLTXLPDA-UHFFFAOYSA-N
XLogP2.63
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyanophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[4-(2-cyanophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide (CID 11724450) is 2-[4-(2-cyanophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(2-cyanophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(2-cyanophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CN2CCN(c3ccccc3C#N)CC2)c1.
What is the InChIKey of 2-[4-(2-cyanophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is IPAGYDFLTXLPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-16-5-4-7-18(13-16)22-20(25)15-23-9-11-24(12-10-23)19-8-3-2-6-17(19)14-21/h2-8,13H,9-12,15H2,1H3,(H,22,25).
What are the key properties of 2-[4-(2-cyanophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide?
2-[4-(2-cyanophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 334.42 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyanophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 11724450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).