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

C16H20N4O2 — CID 133442097

IUPAC2-[4-(5-acetyl-2-cyanophenyl)piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(c2cc(C(C)=O)ccc2C#N)CC1
InChIInChI=1S/C16H20N4O2/c1-12(21)13-3-4-14(10-17)15(9-13)20-7-5-19(6-8-20)11-16(22)18-2/h3-4,9H,5-8,11H2,1-2H3,(H,18,22)
InChIKeyQAWIVGASNDWDGN-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.63
Rot. Bonds4

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

2-[4-(5-acetyl-2-cyanophenyl)piperazin-1-yl]-N-methylacetamide (PubChem CID 133442097) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[4-(5-acetyl-2-cyanophenyl)piperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(5-acetyl-2-cyanophenyl)piperazin-1-yl]-N-methylacetamide
PubChem CID133442097
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-[4-(5-acetyl-2-cyanophenyl)piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(c2cc(C(C)=O)ccc2C#N)CC1
InChIInChI=1S/C16H20N4O2/c1-12(21)13-3-4-14(10-17)15(9-13)20-7-5-19(6-8-20)11-16(22)18-2/h3-4,9H,5-8,11H2,1-2H3,(H,18,22)
InChIKeyQAWIVGASNDWDGN-UHFFFAOYSA-N
XLogP0.63
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(5-acetyl-2-cyanophenyl)piperazin-1-yl]acetamide
CID 133466533
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
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
4-acetyl-2-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]benzonitrile
CID 133442826
4-acetyl-2-[3-(methoxymethyl)piperidin-1-yl]benzonitrile
CID 133454801

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-acetyl-2-cyanophenyl)piperazin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(5-acetyl-2-cyanophenyl)piperazin-1-yl]-N-methylacetamide (CID 133442097) is 2-[4-(5-acetyl-2-cyanophenyl)piperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(5-acetyl-2-cyanophenyl)piperazin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(5-acetyl-2-cyanophenyl)piperazin-1-yl]-N-methylacetamide is CNC(=O)CN1CCN(c2cc(C(C)=O)ccc2C#N)CC1.
What is the InChIKey of 2-[4-(5-acetyl-2-cyanophenyl)piperazin-1-yl]-N-methylacetamide?
The InChIKey is QAWIVGASNDWDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-12(21)13-3-4-14(10-17)15(9-13)20-7-5-19(6-8-20)11-16(22)18-2/h3-4,9H,5-8,11H2,1-2H3,(H,18,22).
What are the key properties of 2-[4-(5-acetyl-2-cyanophenyl)piperazin-1-yl]-N-methylacetamide?
2-[4-(5-acetyl-2-cyanophenyl)piperazin-1-yl]-N-methylacetamide has a molecular weight of 300.36 g/mol, XLogP of 0.63, 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]-N-methylacetamide is sourced from PubChem (CID 133442097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).