2-(2-cyanopiperazin-1-yl)-N-(4-methylphenyl)acetamide

C14H18N4O — CID 79085962

IUPAC2-(2-cyanopiperazin-1-yl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCNCC2C#N)cc1
InChIInChI=1S/C14H18N4O/c1-11-2-4-12(5-3-11)17-14(19)10-18-7-6-16-9-13(18)8-15/h2-5,13,16H,6-7,9-10H2,1H3,(H,17,19)
InChIKeyJGIGUDRDMMCPOT-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.73
Rot. Bonds3

About 2-(2-cyanopiperazin-1-yl)-N-(4-methylphenyl)acetamide

2-(2-cyanopiperazin-1-yl)-N-(4-methylphenyl)acetamide (PubChem CID 79085962) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(2-cyanopiperazin-1-yl)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-cyanopiperazin-1-yl)-N-(4-methylphenyl)acetamide
PubChem CID79085962
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-(2-cyanopiperazin-1-yl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCNCC2C#N)cc1
InChIInChI=1S/C14H18N4O/c1-11-2-4-12(5-3-11)17-14(19)10-18-7-6-16-9-13(18)8-15/h2-5,13,16H,6-7,9-10H2,1H3,(H,17,19)
InChIKeyJGIGUDRDMMCPOT-UHFFFAOYSA-N
XLogP0.73
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.73
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
2-(2-cyanopiperazin-1-yl)-N-(3-ethylphenyl)acetamide
CID 79085741
2-(2-cyanopiperazin-1-yl)-N-(2,6-difluorophenyl)acetamide
CID 79085859
2-(2-cyanopiperazin-1-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 79086537
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(2-cyanopiperazin-1-yl)acetamide
CID 79094403
N-[4-(cyanomethyl)phenyl]-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82755602
2-[[2-(2-cyanopiperazin-1-yl)acetyl]amino]thiophene-3-carboxamide
CID 79086401
N-(4-fluorophenyl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62672477
N-butan-2-yl-2-(2-cyanopiperazin-1-yl)acetamide
CID 79085462
2-[4-(azetidin-3-yl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 66201797
2-(2-cyanopiperazin-1-yl)-N,N-di(propan-2-yl)acetamide
CID 79085658
ethyl 2-(2-cyanopiperazin-1-yl)acetate
CID 79085208

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanopiperazin-1-yl)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(2-cyanopiperazin-1-yl)-N-(4-methylphenyl)acetamide (CID 79085962) is 2-(2-cyanopiperazin-1-yl)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-cyanopiperazin-1-yl)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(2-cyanopiperazin-1-yl)-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN2CCNCC2C#N)cc1.
What is the InChIKey of 2-(2-cyanopiperazin-1-yl)-N-(4-methylphenyl)acetamide?
The InChIKey is JGIGUDRDMMCPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-11-2-4-12(5-3-11)17-14(19)10-18-7-6-16-9-13(18)8-15/h2-5,13,16H,6-7,9-10H2,1H3,(H,17,19).
What are the key properties of 2-(2-cyanopiperazin-1-yl)-N-(4-methylphenyl)acetamide?
2-(2-cyanopiperazin-1-yl)-N-(4-methylphenyl)acetamide has a molecular weight of 258.32 g/mol, XLogP of 0.73, 3 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-(4-methylphenyl)acetamide is sourced from PubChem (CID 79085962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).