N-(2-cyanoethyl)-N-methyl-2-piperazin-1-ylacetamide

C10H18N4O — CID 28881147

IUPACN-(2-cyanoethyl)-N-methyl-2-piperazin-1-ylacetamide
SMILESCN(CCC#N)C(=O)CN1CCNCC1
InChIInChI=1S/C10H18N4O/c1-13(6-2-3-11)10(15)9-14-7-4-12-5-8-14/h12H,2,4-9H2,1H3
InChIKeyPENLNOQBCCWEDK-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.74
Rot. Bonds4

About N-(2-cyanoethyl)-N-methyl-2-piperazin-1-ylacetamide

N-(2-cyanoethyl)-N-methyl-2-piperazin-1-ylacetamide (PubChem CID 28881147) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-2-piperazin-1-ylacetamide
PubChem CID28881147
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN-(2-cyanoethyl)-N-methyl-2-piperazin-1-ylacetamide
SMILESCN(CCC#N)C(=O)CN1CCNCC1
InChIInChI=1S/C10H18N4O/c1-13(6-2-3-11)10(15)9-14-7-4-12-5-8-14/h12H,2,4-9H2,1H3
InChIKeyPENLNOQBCCWEDK-UHFFFAOYSA-N
XLogP-0.74
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-2-piperazin-1-ylacetamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-2-piperazin-1-ylacetamide (CID 28881147) is N-(2-cyanoethyl)-N-methyl-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-2-piperazin-1-ylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-2-piperazin-1-ylacetamide is CN(CCC#N)C(=O)CN1CCNCC1.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-2-piperazin-1-ylacetamide?
The InChIKey is PENLNOQBCCWEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-13(6-2-3-11)10(15)9-14-7-4-12-5-8-14/h12H,2,4-9H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-2-piperazin-1-ylacetamide?
N-(2-cyanoethyl)-N-methyl-2-piperazin-1-ylacetamide has a molecular weight of 210.28 g/mol, XLogP of -0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-2-piperazin-1-ylacetamide is sourced from PubChem (CID 28881147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).