N-(2-cyanoethyl)-N-methyl-2-(4-methylpiperazin-1-yl)acetamide

C11H20N4O — CID 43213999

IUPACN-(2-cyanoethyl)-N-methyl-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)N(C)CCC#N)CC1
InChIInChI=1S/C11H20N4O/c1-13-6-8-15(9-7-13)10-11(16)14(2)5-3-4-12/h3,5-10H2,1-2H3
InChIKeyPQOWYCONTNUXLU-UHFFFAOYSA-N
MW224.31 g/mol
LogP-0.39
Rot. Bonds4

About N-(2-cyanoethyl)-N-methyl-2-(4-methylpiperazin-1-yl)acetamide

N-(2-cyanoethyl)-N-methyl-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 43213999) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID43213999
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-(2-cyanoethyl)-N-methyl-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)N(C)CCC#N)CC1
InChIInChI=1S/C11H20N4O/c1-13-6-8-15(9-7-13)10-11(16)14(2)5-3-4-12/h3,5-10H2,1-2H3
InChIKeyPQOWYCONTNUXLU-UHFFFAOYSA-N
XLogP-0.39
TPSA50.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-2-(4-methylpiperazin-1-yl)acetamide (CID 43213999) is N-(2-cyanoethyl)-N-methyl-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-2-(4-methylpiperazin-1-yl)acetamide is CN1CCN(CC(=O)N(C)CCC#N)CC1.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is PQOWYCONTNUXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-13-6-8-15(9-7-13)10-11(16)14(2)5-3-4-12/h3,5-10H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-2-(4-methylpiperazin-1-yl)acetamide?
N-(2-cyanoethyl)-N-methyl-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 224.31 g/mol, XLogP of -0.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 43213999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).