N-(2-cyanoethyl)-N-methyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide

C11H20N4O — CID 104975233

IUPACN-(2-cyanoethyl)-N-methyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide
SMILESC[C@@H]1CN(CC(=O)N(C)CCC#N)CCN1
InChIInChI=1S/C11H20N4O/c1-10-8-15(7-5-13-10)9-11(16)14(2)6-3-4-12/h10,13H,3,5-9H2,1-2H3/t10-/m1/s1
InChIKeyGBLGDKNZWKGRCQ-SNVBAGLBSA-N
MW224.31 g/mol
LogP-0.35
Rot. Bonds4

About N-(2-cyanoethyl)-N-methyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide

N-(2-cyanoethyl)-N-methyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide (PubChem CID 104975233) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide
PubChem CID104975233
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-(2-cyanoethyl)-N-methyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide
SMILESC[C@@H]1CN(CC(=O)N(C)CCC#N)CCN1
InChIInChI=1S/C11H20N4O/c1-10-8-15(7-5-13-10)9-11(16)14(2)6-3-4-12/h10,13H,3,5-9H2,1-2H3/t10-/m1/s1
InChIKeyGBLGDKNZWKGRCQ-SNVBAGLBSA-N
XLogP-0.35
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-2-(3,4-dimethylpiperidin-1-yl)-N-methylacetamide
CID 115873414
N-(2-cyanoethyl)-2-(2,5-dimethylpiperazin-1-yl)-N-methylacetamide
CID 64980524
N-(2-cyanoethyl)-N-methyl-2-(3-methylpiperidin-1-yl)acetamide
CID 43214011
1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63032762
N-(2-cyanoethyl)-N-methyl-2-(2-methyl-1,4-oxazepan-4-yl)acetamide
CID 62989015
N-(2-cyanoethyl)-N-methyl-2-thiomorpholin-4-ylacetamide
CID 43288869
N-(2-cyanoethyl)-N-methyl-2-(1,4-thiazepan-4-yl)acetamide
CID 61419019
N-(2-cyanoethyl)-2-(3-methoxypiperidin-1-yl)-N-methylacetamide
CID 113231239
N-(2-cyanoethyl)-2-(4,4-diethylpiperidin-1-yl)-N-methylacetamide
CID 63160697
N-methyl-2-[(3R)-3-methylpiperazin-1-yl]-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 104975660
ethyl 1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 43213986
N-cyclohexyl-N-methyl-2-(3-methylpiperazin-1-yl)acetamide
CID 65448637

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide (CID 104975233) is N-(2-cyanoethyl)-N-methyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide is C[C@@H]1CN(CC(=O)N(C)CCC#N)CCN1.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide?
The InChIKey is GBLGDKNZWKGRCQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H20N4O/c1-10-8-15(7-5-13-10)9-11(16)14(2)6-3-4-12/h10,13H,3,5-9H2,1-2H3/t10-/m1/s1.
What are the key properties of N-(2-cyanoethyl)-N-methyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide?
N-(2-cyanoethyl)-N-methyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide has a molecular weight of 224.31 g/mol, XLogP of -0.35, 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-[(3R)-3-methylpiperazin-1-yl]acetamide is sourced from PubChem (CID 104975233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).