N-(2-cyanoethyl)-2-(2,5-dimethylpiperazin-1-yl)-N-methylacetamide

C12H22N4O — CID 64980524

IUPACN-(2-cyanoethyl)-2-(2,5-dimethylpiperazin-1-yl)-N-methylacetamide
SMILESCC1CN(CC(=O)N(C)CCC#N)C(C)CN1
InChIInChI=1S/C12H22N4O/c1-10-8-16(11(2)7-14-10)9-12(17)15(3)6-4-5-13/h10-11,14H,4,6-9H2,1-3H3
InChIKeyXPIQLXXSKMPCSZ-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.04
Rot. Bonds4

About N-(2-cyanoethyl)-2-(2,5-dimethylpiperazin-1-yl)-N-methylacetamide

N-(2-cyanoethyl)-2-(2,5-dimethylpiperazin-1-yl)-N-methylacetamide (PubChem CID 64980524) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(2,5-dimethylpiperazin-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(2,5-dimethylpiperazin-1-yl)-N-methylacetamide
PubChem CID64980524
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-(2-cyanoethyl)-2-(2,5-dimethylpiperazin-1-yl)-N-methylacetamide
SMILESCC1CN(CC(=O)N(C)CCC#N)C(C)CN1
InChIInChI=1S/C12H22N4O/c1-10-8-16(11(2)7-14-10)9-12(17)15(3)6-4-5-13/h10-11,14H,4,6-9H2,1-3H3
InChIKeyXPIQLXXSKMPCSZ-UHFFFAOYSA-N
XLogP0.04
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethylpiperazin-1-yl)-N-ethyl-N-methylacetamide
CID 64980824
N-(2-cyanoethyl)-N-methyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975233
N-(2-cyanoethyl)-N-methyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
CID 78959462
N-(2-cyanoethyl)-2-(3,4-dimethylpiperidin-1-yl)-N-methylacetamide
CID 115873414
N-(2-cyanoethyl)-N-methyl-2-(3-methylpiperidin-1-yl)acetamide
CID 43214011
2-(2,5-dimethylpiperazin-1-yl)-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 64980735
N-(2-cyanoethyl)-N-methyl-2-thiomorpholin-4-ylacetamide
CID 43288869
2-(2,5-dimethylpiperazin-1-yl)-N-methyl-N-(1-phenylethyl)acetamide
CID 64980755
N-(2-cyanoethyl)-N-methyl-2-(2-methyl-1,4-oxazepan-4-yl)acetamide
CID 62989015
1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63032762
2-(2,5-dimethylpiperazin-1-yl)-N-prop-2-ynylacetamide
CID 64980630
2-(2,5-dimethylpiperazin-1-yl)-N-propan-2-ylacetamide
CID 64980506

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(2,5-dimethylpiperazin-1-yl)-N-methylacetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(2,5-dimethylpiperazin-1-yl)-N-methylacetamide (CID 64980524) is N-(2-cyanoethyl)-2-(2,5-dimethylpiperazin-1-yl)-N-methylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(2,5-dimethylpiperazin-1-yl)-N-methylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(2,5-dimethylpiperazin-1-yl)-N-methylacetamide is CC1CN(CC(=O)N(C)CCC#N)C(C)CN1.
What is the InChIKey of N-(2-cyanoethyl)-2-(2,5-dimethylpiperazin-1-yl)-N-methylacetamide?
The InChIKey is XPIQLXXSKMPCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-10-8-16(11(2)7-14-10)9-12(17)15(3)6-4-5-13/h10-11,14H,4,6-9H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-2-(2,5-dimethylpiperazin-1-yl)-N-methylacetamide?
N-(2-cyanoethyl)-2-(2,5-dimethylpiperazin-1-yl)-N-methylacetamide has a molecular weight of 238.33 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(2,5-dimethylpiperazin-1-yl)-N-methylacetamide is sourced from PubChem (CID 64980524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).