N-(2-cyanoethyl)-2-(4-ethylpiperazin-1-yl)-N-methylacetamide

C12H22N4O — CID 43214006

IUPACN-(2-cyanoethyl)-2-(4-ethylpiperazin-1-yl)-N-methylacetamide
SMILESCCN1CCN(CC(=O)N(C)CCC#N)CC1
InChIInChI=1S/C12H22N4O/c1-3-15-7-9-16(10-8-15)11-12(17)14(2)6-4-5-13/h3-4,6-11H2,1-2H3
InChIKeyHYFQMPJENLJGEP-UHFFFAOYSA-N
MW238.33 g/mol
LogP-0.00
Rot. Bonds5

About N-(2-cyanoethyl)-2-(4-ethylpiperazin-1-yl)-N-methylacetamide

N-(2-cyanoethyl)-2-(4-ethylpiperazin-1-yl)-N-methylacetamide (PubChem CID 43214006) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(4-ethylpiperazin-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(4-ethylpiperazin-1-yl)-N-methylacetamide
PubChem CID43214006
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-(2-cyanoethyl)-2-(4-ethylpiperazin-1-yl)-N-methylacetamide
SMILESCCN1CCN(CC(=O)N(C)CCC#N)CC1
InChIInChI=1S/C12H22N4O/c1-3-15-7-9-16(10-8-15)11-12(17)14(2)6-4-5-13/h3-4,6-11H2,1-2H3
InChIKeyHYFQMPJENLJGEP-UHFFFAOYSA-N
XLogP-0.00
TPSA50.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 5-0.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(2-cyanoethyl)-2-(4-ethylpiperazin-1-yl)-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(4-ethylpiperazin-1-yl)-N-methylacetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(4-ethylpiperazin-1-yl)-N-methylacetamide (CID 43214006) is N-(2-cyanoethyl)-2-(4-ethylpiperazin-1-yl)-N-methylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(4-ethylpiperazin-1-yl)-N-methylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(4-ethylpiperazin-1-yl)-N-methylacetamide is CCN1CCN(CC(=O)N(C)CCC#N)CC1.
What is the InChIKey of N-(2-cyanoethyl)-2-(4-ethylpiperazin-1-yl)-N-methylacetamide?
The InChIKey is HYFQMPJENLJGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-15-7-9-16(10-8-15)11-12(17)14(2)6-4-5-13/h3-4,6-11H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-2-(4-ethylpiperazin-1-yl)-N-methylacetamide?
N-(2-cyanoethyl)-2-(4-ethylpiperazin-1-yl)-N-methylacetamide has a molecular weight of 238.33 g/mol, XLogP of -0.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(4-ethylpiperazin-1-yl)-N-methylacetamide is sourced from PubChem (CID 43214006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).