N-(cyanomethyl)-2-(2,2-dimethylpiperazin-1-yl)-N-phenylacetamide

C16H22N4O — CID 65461386

IUPACN-(cyanomethyl)-2-(2,2-dimethylpiperazin-1-yl)-N-phenylacetamide
SMILESCC1(C)CNCCN1CC(=O)N(CC#N)c1ccccc1
InChIInChI=1S/C16H22N4O/c1-16(2)13-18-9-11-19(16)12-15(21)20(10-8-17)14-6-4-3-5-7-14/h3-7,18H,9-13H2,1-2H3
InChIKeyJICGLCBZBACSJB-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.23
Rot. Bonds4

About N-(cyanomethyl)-2-(2,2-dimethylpiperazin-1-yl)-N-phenylacetamide

N-(cyanomethyl)-2-(2,2-dimethylpiperazin-1-yl)-N-phenylacetamide (PubChem CID 65461386) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(cyanomethyl)-2-(2,2-dimethylpiperazin-1-yl)-N-phenylacetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-(2,2-dimethylpiperazin-1-yl)-N-phenylacetamide
PubChem CID65461386
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-(cyanomethyl)-2-(2,2-dimethylpiperazin-1-yl)-N-phenylacetamide
SMILESCC1(C)CNCCN1CC(=O)N(CC#N)c1ccccc1
InChIInChI=1S/C16H22N4O/c1-16(2)13-18-9-11-19(16)12-15(21)20(10-8-17)14-6-4-3-5-7-14/h3-7,18H,9-13H2,1-2H3
InChIKeyJICGLCBZBACSJB-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-(2,2-dimethylpiperazin-1-yl)-N-phenylacetamide?
The IUPAC name of N-(cyanomethyl)-2-(2,2-dimethylpiperazin-1-yl)-N-phenylacetamide (CID 65461386) is N-(cyanomethyl)-2-(2,2-dimethylpiperazin-1-yl)-N-phenylacetamide.
What is the SMILES notation for N-(cyanomethyl)-2-(2,2-dimethylpiperazin-1-yl)-N-phenylacetamide?
The canonical SMILES for N-(cyanomethyl)-2-(2,2-dimethylpiperazin-1-yl)-N-phenylacetamide is CC1(C)CNCCN1CC(=O)N(CC#N)c1ccccc1.
What is the InChIKey of N-(cyanomethyl)-2-(2,2-dimethylpiperazin-1-yl)-N-phenylacetamide?
The InChIKey is JICGLCBZBACSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-16(2)13-18-9-11-19(16)12-15(21)20(10-8-17)14-6-4-3-5-7-14/h3-7,18H,9-13H2,1-2H3.
What are the key properties of N-(cyanomethyl)-2-(2,2-dimethylpiperazin-1-yl)-N-phenylacetamide?
N-(cyanomethyl)-2-(2,2-dimethylpiperazin-1-yl)-N-phenylacetamide has a molecular weight of 286.38 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-(2,2-dimethylpiperazin-1-yl)-N-phenylacetamide is sourced from PubChem (CID 65461386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).