2-cyano-N-(4-methylpiperazin-1-yl)acetamide

C8H14N4O — CID 3643961

IUPAC2-cyano-N-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(NC(=O)CC#N)CC1
InChIInChI=1S/C8H14N4O/c1-11-4-6-12(7-5-11)10-8(13)2-3-9/h2,4-7H2,1H3,(H,10,13)
InChIKeyOGBWZUYJRGNYJN-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.82
Rot. Bonds2

About 2-cyano-N-(4-methylpiperazin-1-yl)acetamide

2-cyano-N-(4-methylpiperazin-1-yl)acetamide (PubChem CID 3643961) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-cyano-N-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(4-methylpiperazin-1-yl)acetamide
PubChem CID3643961
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name2-cyano-N-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(NC(=O)CC#N)CC1
InChIInChI=1S/C8H14N4O/c1-11-4-6-12(7-5-11)10-8(13)2-3-9/h2,4-7H2,1H3,(H,10,13)
InChIKeyOGBWZUYJRGNYJN-UHFFFAOYSA-N
XLogP-0.82
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of 2-cyano-N-(4-methylpiperazin-1-yl)acetamide (CID 3643961) is 2-cyano-N-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for 2-cyano-N-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for 2-cyano-N-(4-methylpiperazin-1-yl)acetamide is CN1CCN(NC(=O)CC#N)CC1.
What is the InChIKey of 2-cyano-N-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is OGBWZUYJRGNYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-11-4-6-12(7-5-11)10-8(13)2-3-9/h2,4-7H2,1H3,(H,10,13).
What are the key properties of 2-cyano-N-(4-methylpiperazin-1-yl)acetamide?
2-cyano-N-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 182.23 g/mol, XLogP of -0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 3643961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).