2-(2-cyanopiperazin-1-yl)-N-methyl-N-phenylacetamide

C14H18N4O — CID 79085439

IUPAC2-(2-cyanopiperazin-1-yl)-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CN1CCNCC1C#N)c1ccccc1
InChIInChI=1S/C14H18N4O/c1-17(12-5-3-2-4-6-12)14(19)11-18-8-7-16-10-13(18)9-15/h2-6,13,16H,7-8,10-11H2,1H3
InChIKeyOBVMRONIFPGONI-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.45
Rot. Bonds3

About 2-(2-cyanopiperazin-1-yl)-N-methyl-N-phenylacetamide

2-(2-cyanopiperazin-1-yl)-N-methyl-N-phenylacetamide (PubChem CID 79085439) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(2-cyanopiperazin-1-yl)-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(2-cyanopiperazin-1-yl)-N-methyl-N-phenylacetamide
PubChem CID79085439
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-(2-cyanopiperazin-1-yl)-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CN1CCNCC1C#N)c1ccccc1
InChIInChI=1S/C14H18N4O/c1-17(12-5-3-2-4-6-12)14(19)11-18-8-7-16-10-13(18)9-15/h2-6,13,16H,7-8,10-11H2,1H3
InChIKeyOBVMRONIFPGONI-UHFFFAOYSA-N
XLogP0.45
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyanopiperazin-1-yl)-N,N-di(propan-2-yl)acetamide
CID 79085658
1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]piperazine-2-carbonitrile
CID 79085240
ethyl 2-(2-cyanopiperazin-1-yl)acetate
CID 79085208
2-(2-cyanopiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 79085962
2-(2-cyanopiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 79085324
2-(2-cyanopiperazin-1-yl)-N-(2,6-difluorophenyl)acetamide
CID 79085859
N-(3-acetylphenyl)-2-(2-cyanopiperazin-1-yl)acetamide
CID 79094397
1-(2-oxo-2-piperidin-1-ylethyl)piperazine-2-carbonitrile
CID 79086610
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide
CID 120753144
2-(2,2-dimethylpiperazin-1-yl)-N-methyl-N-phenylacetamide
CID 65460575
2-(2-cyanopiperazin-1-yl)-N-(3-ethylphenyl)acetamide
CID 79085741
3-(2-cyanopiperazin-1-yl)-2,2-dimethylpropanoic acid
CID 79621560

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanopiperazin-1-yl)-N-methyl-N-phenylacetamide?
The IUPAC name of 2-(2-cyanopiperazin-1-yl)-N-methyl-N-phenylacetamide (CID 79085439) is 2-(2-cyanopiperazin-1-yl)-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-(2-cyanopiperazin-1-yl)-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-(2-cyanopiperazin-1-yl)-N-methyl-N-phenylacetamide is CN(C(=O)CN1CCNCC1C#N)c1ccccc1.
What is the InChIKey of 2-(2-cyanopiperazin-1-yl)-N-methyl-N-phenylacetamide?
The InChIKey is OBVMRONIFPGONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-17(12-5-3-2-4-6-12)14(19)11-18-8-7-16-10-13(18)9-15/h2-6,13,16H,7-8,10-11H2,1H3.
What are the key properties of 2-(2-cyanopiperazin-1-yl)-N-methyl-N-phenylacetamide?
2-(2-cyanopiperazin-1-yl)-N-methyl-N-phenylacetamide has a molecular weight of 258.32 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanopiperazin-1-yl)-N-methyl-N-phenylacetamide is sourced from PubChem (CID 79085439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).