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

C15H18N4O2 — CID 79094397

IUPACN-(3-acetylphenyl)-2-(2-cyanopiperazin-1-yl)acetamide
SMILESCC(=O)c1cccc(NC(=O)CN2CCNCC2C#N)c1
InChIInChI=1S/C15H18N4O2/c1-11(20)12-3-2-4-13(7-12)18-15(21)10-19-6-5-17-9-14(19)8-16/h2-4,7,14,17H,5-6,9-10H2,1H3,(H,18,21)
InChIKeyHDYXSMKFVMCIKU-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.63
Rot. Bonds4

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

N-(3-acetylphenyl)-2-(2-cyanopiperazin-1-yl)acetamide (PubChem CID 79094397) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(2-cyanopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(2-cyanopiperazin-1-yl)acetamide
PubChem CID79094397
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN-(3-acetylphenyl)-2-(2-cyanopiperazin-1-yl)acetamide
SMILESCC(=O)c1cccc(NC(=O)CN2CCNCC2C#N)c1
InChIInChI=1S/C15H18N4O2/c1-11(20)12-3-2-4-13(7-12)18-15(21)10-19-6-5-17-9-14(19)8-16/h2-4,7,14,17H,5-6,9-10H2,1H3,(H,18,21)
InChIKeyHDYXSMKFVMCIKU-UHFFFAOYSA-N
XLogP0.63
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-cyanopiperazin-1-yl)-N-(3-ethylphenyl)acetamide
CID 79085741
N-(3-acetylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119916490
2-(2-cyanopiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 79085962
2-(2-cyanopiperazin-1-yl)-N-(2,6-difluorophenyl)acetamide
CID 79085859
N-butan-2-yl-2-(2-cyanopiperazin-1-yl)acetamide
CID 79085462
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
N-(3-ethylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119916597
N-(3-acetylphenyl)-2-[(2S)-2-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 52518463
N-(3-acetylphenyl)-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide
CID 79410437
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(2-cyanopiperazin-1-yl)acetamide
CID 79094403
1-[(5-acetyl-2-methoxyphenyl)methyl]piperazine-2-carbonitrile
CID 79086081

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(2-cyanopiperazin-1-yl)acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-(2-cyanopiperazin-1-yl)acetamide (CID 79094397) is N-(3-acetylphenyl)-2-(2-cyanopiperazin-1-yl)acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(2-cyanopiperazin-1-yl)acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(2-cyanopiperazin-1-yl)acetamide is CC(=O)c1cccc(NC(=O)CN2CCNCC2C#N)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(2-cyanopiperazin-1-yl)acetamide?
The InChIKey is HDYXSMKFVMCIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-11(20)12-3-2-4-13(7-12)18-15(21)10-19-6-5-17-9-14(19)8-16/h2-4,7,14,17H,5-6,9-10H2,1H3,(H,18,21).
What are the key properties of N-(3-acetylphenyl)-2-(2-cyanopiperazin-1-yl)acetamide?
N-(3-acetylphenyl)-2-(2-cyanopiperazin-1-yl)acetamide has a molecular weight of 286.33 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(2-cyanopiperazin-1-yl)acetamide is sourced from PubChem (CID 79094397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).