N-(cyanomethyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide

C11H19N5O2 — CID 54903898

IUPACN-(cyanomethyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
SMILESCN(CC(=O)NCC#N)CC(=O)N1CCNCC1
InChIInChI=1S/C11H19N5O2/c1-15(8-10(17)14-3-2-12)9-11(18)16-6-4-13-5-7-16/h13H,3-9H2,1H3,(H,14,17)
InChIKeyLSURVXXXCGTDDO-UHFFFAOYSA-N
MW253.31 g/mol
LogP-2.01
Rot. Bonds5

About N-(cyanomethyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide

N-(cyanomethyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide (PubChem CID 54903898) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is N-(cyanomethyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
PubChem CID54903898
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC NameN-(cyanomethyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
SMILESCN(CC(=O)NCC#N)CC(=O)N1CCNCC1
InChIInChI=1S/C11H19N5O2/c1-15(8-10(17)14-3-2-12)9-11(18)16-6-4-13-5-7-16/h13H,3-9H2,1H3,(H,14,17)
InChIKeyLSURVXXXCGTDDO-UHFFFAOYSA-N
XLogP-2.01
TPSA88.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-2.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(cyanomethyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide 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

methyl N-[2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetyl]carbamate
CID 54903931
N-tert-butyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 54904322
4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]butanenitrile
CID 61018157
N-cyclopropyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
CID 119914949
N-butan-2-yl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 54904286
N-(cyanomethyl)piperazine-1-carboxamide
CID 108864637
2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]-N-propylacetamide
CID 62543748
2-(dimethylamino)-1-piperazin-1-ylethanone
CID 16770302
N-ethyl-N-methyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 54903788
N-(4-methoxyphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
CID 119915137
2-[2,2-dimethylpropyl(methyl)amino]-1-piperazin-1-ylethanone
CID 61325591
N-methyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-propan-2-ylacetamide
CID 54904152

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide?
The IUPAC name of N-(cyanomethyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide (CID 54903898) is N-(cyanomethyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide?
The canonical SMILES for N-(cyanomethyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide is CN(CC(=O)NCC#N)CC(=O)N1CCNCC1.
What is the InChIKey of N-(cyanomethyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide?
The InChIKey is LSURVXXXCGTDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-15(8-10(17)14-3-2-12)9-11(18)16-6-4-13-5-7-16/h13H,3-9H2,1H3,(H,14,17).
What are the key properties of N-(cyanomethyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide?
N-(cyanomethyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide has a molecular weight of 253.31 g/mol, XLogP of -2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide is sourced from PubChem (CID 54903898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).