2-(2-cyanopiperazin-1-yl)-N-(3-ethylphenyl)acetamide

C15H20N4O — CID 79085741

IUPAC2-(2-cyanopiperazin-1-yl)-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)CN2CCNCC2C#N)c1
InChIInChI=1S/C15H20N4O/c1-2-12-4-3-5-13(8-12)18-15(20)11-19-7-6-17-10-14(19)9-16/h3-5,8,14,17H,2,6-7,10-11H2,1H3,(H,18,20)
InChIKeyZAUWTGSXXCCNEU-UHFFFAOYSA-N
MW272.35 g/mol
LogP0.98
Rot. Bonds4

About 2-(2-cyanopiperazin-1-yl)-N-(3-ethylphenyl)acetamide

2-(2-cyanopiperazin-1-yl)-N-(3-ethylphenyl)acetamide (PubChem CID 79085741) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(2-cyanopiperazin-1-yl)-N-(3-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-cyanopiperazin-1-yl)-N-(3-ethylphenyl)acetamide
PubChem CID79085741
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-(2-cyanopiperazin-1-yl)-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)CN2CCNCC2C#N)c1
InChIInChI=1S/C15H20N4O/c1-2-12-4-3-5-13(8-12)18-15(20)11-19-7-6-17-10-14(19)9-16/h3-5,8,14,17H,2,6-7,10-11H2,1H3,(H,18,20)
InChIKeyZAUWTGSXXCCNEU-UHFFFAOYSA-N
XLogP0.98
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-2-(2-cyanopiperazin-1-yl)acetamide
CID 79094397
N-(3-ethylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119916597
2-(2-cyanopiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 79085962
N-(3-ethylphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 120753435
2-(2-cyanopiperazin-1-yl)-N-(2,6-difluorophenyl)acetamide
CID 79085859
N-butan-2-yl-2-(2-cyanopiperazin-1-yl)acetamide
CID 79085462
N-(3-acetylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119916490
2-(2-cyanopiperazin-1-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 79086537
2-[[2-(2-cyanopiperazin-1-yl)acetyl]amino]thiophene-3-carboxamide
CID 79086401
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(3-ethylphenyl)acetamide;hydrochloride
CID 119927202
N-(3-ethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide
CID 119923733
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(3-ethylphenyl)acetamide
CID 80505154

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanopiperazin-1-yl)-N-(3-ethylphenyl)acetamide?
The IUPAC name of 2-(2-cyanopiperazin-1-yl)-N-(3-ethylphenyl)acetamide (CID 79085741) is 2-(2-cyanopiperazin-1-yl)-N-(3-ethylphenyl)acetamide.
What is the SMILES notation for 2-(2-cyanopiperazin-1-yl)-N-(3-ethylphenyl)acetamide?
The canonical SMILES for 2-(2-cyanopiperazin-1-yl)-N-(3-ethylphenyl)acetamide is CCc1cccc(NC(=O)CN2CCNCC2C#N)c1.
What is the InChIKey of 2-(2-cyanopiperazin-1-yl)-N-(3-ethylphenyl)acetamide?
The InChIKey is ZAUWTGSXXCCNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-12-4-3-5-13(8-12)18-15(20)11-19-7-6-17-10-14(19)9-16/h3-5,8,14,17H,2,6-7,10-11H2,1H3,(H,18,20).
What are the key properties of 2-(2-cyanopiperazin-1-yl)-N-(3-ethylphenyl)acetamide?
2-(2-cyanopiperazin-1-yl)-N-(3-ethylphenyl)acetamide has a molecular weight of 272.35 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanopiperazin-1-yl)-N-(3-ethylphenyl)acetamide is sourced from PubChem (CID 79085741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).