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

C12H20N4O2 — CID 43213979

IUPAC2-(4-acetylpiperazin-1-yl)-N-(2-cyanoethyl)-N-methylacetamide
SMILESCC(=O)N1CCN(CC(=O)N(C)CCC#N)CC1
InChIInChI=1S/C12H20N4O2/c1-11(17)16-8-6-15(7-9-16)10-12(18)14(2)5-3-4-13/h3,5-10H2,1-2H3
InChIKeyFKAYZGSSGKFUSU-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.48
Rot. Bonds4

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

2-(4-acetylpiperazin-1-yl)-N-(2-cyanoethyl)-N-methylacetamide (PubChem CID 43213979) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-(2-cyanoethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-(2-cyanoethyl)-N-methylacetamide
PubChem CID43213979
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-(2-cyanoethyl)-N-methylacetamide
SMILESCC(=O)N1CCN(CC(=O)N(C)CCC#N)CC1
InChIInChI=1S/C12H20N4O2/c1-11(17)16-8-6-15(7-9-16)10-12(18)14(2)5-3-4-13/h3,5-10H2,1-2H3
InChIKeyFKAYZGSSGKFUSU-UHFFFAOYSA-N
XLogP-0.48
TPSA67.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-acetylpiperazin-1-yl)-N-(2-cyanoethyl)-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

Related Compounds

3-(4-Ethylpiperazin-1-yl)-3-oxopropanenitrile
CID 2345029
3-(4-Methylpiperazin-1-yl)-3-oxopropanenitrile
CID 2345031
1,4-Dibutylpiperazine-2,5-dione
CID 19902955
1,4-Dipropylpiperazine-2,5-dione
CID 20186172
2-(Dimethylamino)-1-(4-propylpiperazin-1-yl)ethanone
CID 45826320
Piperazine, 1,4-bisacetamide, N,N'-bis(tert-butyl)-N,N'-bis(2-cyanoethyl)-
CID 622133
3-(11,12-Dioxo-1,4,7,10-tetrazabicyclo[8.2.2]tetradecan-4-yl)propanenitrile
CID 10588753
N,N'-Diisobutyl-2,5-dioxopiperazin
CID 58851024
N,N-dimethyl-2-[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]acetamide
CID 71930587
2-[4-[2-(Diethylamino)acetyl]piperazin-1-yl]propanenitrile
CID 75503220
3-[(2S)-4-ethyl-2-methyl-3-oxopiperazin-1-yl]-2,2-dimethyl-3-oxopropanenitrile
CID 164626734
3-[4-(2-Cyanoacetyl)piperazin-1-yl]-3-oxopropanenitrile
CID 4597913

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-(2-cyanoethyl)-N-methylacetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-(2-cyanoethyl)-N-methylacetamide (CID 43213979) is 2-(4-acetylpiperazin-1-yl)-N-(2-cyanoethyl)-N-methylacetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-(2-cyanoethyl)-N-methylacetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-(2-cyanoethyl)-N-methylacetamide is CC(=O)N1CCN(CC(=O)N(C)CCC#N)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-(2-cyanoethyl)-N-methylacetamide?
The InChIKey is FKAYZGSSGKFUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-11(17)16-8-6-15(7-9-16)10-12(18)14(2)5-3-4-13/h3,5-10H2,1-2H3.
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-(2-cyanoethyl)-N-methylacetamide?
2-(4-acetylpiperazin-1-yl)-N-(2-cyanoethyl)-N-methylacetamide has a molecular weight of 252.32 g/mol, XLogP of -0.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-N-(2-cyanoethyl)-N-methylacetamide is sourced from PubChem (CID 43213979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).