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

C16H22N4O — CID 63338844

IUPAC2-[4-(1-cyanoethyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2CCN(C(C)C#N)CC2)c1
InChIInChI=1S/C16H22N4O/c1-13-4-3-5-15(10-13)18-16(21)12-19-6-8-20(9-7-19)14(2)11-17/h3-5,10,14H,6-9,12H2,1-2H3,(H,18,21)
InChIKeySACDYGCIHLDMAR-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.46
Rot. Bonds4

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

2-[4-(1-cyanoethyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide (PubChem CID 63338844) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[4-(1-cyanoethyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(1-cyanoethyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
PubChem CID63338844
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-[4-(1-cyanoethyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2CCN(C(C)C#N)CC2)c1
InChIInChI=1S/C16H22N4O/c1-13-4-3-5-15(10-13)18-16(21)12-19-6-8-20(9-7-19)14(2)11-17/h3-5,10,14H,6-9,12H2,1-2H3,(H,18,21)
InChIKeySACDYGCIHLDMAR-UHFFFAOYSA-N
XLogP1.46
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azocan-1-yl)-N-(3-methylphenyl)acetamide
CID 2655272
N-(4-fluorophenyl)-2-[4-[2-(3-methylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9435872
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 34905400
2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N-(3-methylphenyl)acetamide
CID 78896555
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 6466210
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanenitrile
CID 60647650
tert-butyl 4-[2-(3-methylanilino)-2-oxoethyl]-1,4-diazepane-1-carboxylate
CID 171130205
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 63248780
N-(3-methylphenyl)-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetamide
CID 171327671
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 8932674
2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 42913990
2-(3,5-dimethylpiperidin-1-yl)-N-(3-methylphenyl)acetamide
CID 22198013

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-cyanoethyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[4-(1-cyanoethyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide (CID 63338844) is 2-[4-(1-cyanoethyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(1-cyanoethyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(1-cyanoethyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CN2CCN(C(C)C#N)CC2)c1.
What is the InChIKey of 2-[4-(1-cyanoethyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is SACDYGCIHLDMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-13-4-3-5-15(10-13)18-16(21)12-19-6-8-20(9-7-19)14(2)11-17/h3-5,10,14H,6-9,12H2,1-2H3,(H,18,21).
What are the key properties of 2-[4-(1-cyanoethyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide?
2-[4-(1-cyanoethyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 286.38 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-cyanoethyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 63338844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).