2-[4-(5-acetyl-2-cyanophenyl)piperazin-1-yl]acetamide

C15H18N4O2 — CID 133466533

IUPAC2-[4-(5-acetyl-2-cyanophenyl)piperazin-1-yl]acetamide
SMILESCC(=O)c1ccc(C#N)c(N2CCN(CC(N)=O)CC2)c1
InChIInChI=1S/C15H18N4O2/c1-11(20)12-2-3-13(9-16)14(8-12)19-6-4-18(5-7-19)10-15(17)21/h2-3,8H,4-7,10H2,1H3,(H2,17,21)
InChIKeyKXZHYKZFHYLGST-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.37
Rot. Bonds4

About 2-[4-(5-acetyl-2-cyanophenyl)piperazin-1-yl]acetamide

2-[4-(5-acetyl-2-cyanophenyl)piperazin-1-yl]acetamide (PubChem CID 133466533) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-[4-(5-acetyl-2-cyanophenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(5-acetyl-2-cyanophenyl)piperazin-1-yl]acetamide
PubChem CID133466533
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name2-[4-(5-acetyl-2-cyanophenyl)piperazin-1-yl]acetamide
SMILESCC(=O)c1ccc(C#N)c(N2CCN(CC(N)=O)CC2)c1
InChIInChI=1S/C15H18N4O2/c1-11(20)12-2-3-13(9-16)14(8-12)19-6-4-18(5-7-19)10-15(17)21/h2-3,8H,4-7,10H2,1H3,(H2,17,21)
InChIKeyKXZHYKZFHYLGST-UHFFFAOYSA-N
XLogP0.37
TPSA90.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(5-acetyl-2-cyanophenyl)piperazin-1-yl]-N-methylacetamide
CID 133442097
4-acetyl-2-[4-(2-methoxyethyl)piperazin-1-yl]benzonitrile
CID 133466286
4-acetyl-2-[4-(2-hydroxybutyl)piperazin-1-yl]benzonitrile
CID 133458273
4-acetyl-2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]benzonitrile
CID 133456181
4-acetyl-2-[4-(2-chlorophenyl)piperazin-1-yl]benzonitrile
CID 133465815
1-(5-acetyl-2-cyanophenyl)pyrrolidine-3-carboxamide
CID 133443287
4-acetyl-2-[4-(4-methylcyclohexyl)piperazin-1-yl]benzonitrile
CID 133458213
4-acetyl-2-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]benzonitrile
CID 133456890
4-acetyl-2-(4-methylazepan-1-yl)benzonitrile
CID 133442969
4-acetyl-2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]benzonitrile
CID 133455928
4-acetyl-2-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]benzonitrile
CID 133457530
ethyl 6-[4-(5-acetyl-2-cyanophenyl)piperazin-1-yl]pyridine-3-carboxylate
CID 133455882

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-acetyl-2-cyanophenyl)piperazin-1-yl]acetamide?
The IUPAC name of 2-[4-(5-acetyl-2-cyanophenyl)piperazin-1-yl]acetamide (CID 133466533) is 2-[4-(5-acetyl-2-cyanophenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-(5-acetyl-2-cyanophenyl)piperazin-1-yl]acetamide?
The canonical SMILES for 2-[4-(5-acetyl-2-cyanophenyl)piperazin-1-yl]acetamide is CC(=O)c1ccc(C#N)c(N2CCN(CC(N)=O)CC2)c1.
What is the InChIKey of 2-[4-(5-acetyl-2-cyanophenyl)piperazin-1-yl]acetamide?
The InChIKey is KXZHYKZFHYLGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-11(20)12-2-3-13(9-16)14(8-12)19-6-4-18(5-7-19)10-15(17)21/h2-3,8H,4-7,10H2,1H3,(H2,17,21).
What are the key properties of 2-[4-(5-acetyl-2-cyanophenyl)piperazin-1-yl]acetamide?
2-[4-(5-acetyl-2-cyanophenyl)piperazin-1-yl]acetamide has a molecular weight of 286.34 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-acetyl-2-cyanophenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 133466533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).