2-cyano-2-ethyl-N-(4-methylpiperazin-1-yl)butanamide

C12H22N4O — CID 83015893

IUPAC2-cyano-2-ethyl-N-(4-methylpiperazin-1-yl)butanamide
SMILESCCC(C#N)(CC)C(=O)NN1CCN(C)CC1
InChIInChI=1S/C12H22N4O/c1-4-12(5-2,10-13)11(17)14-16-8-6-15(3)7-9-16/h4-9H2,1-3H3,(H,14,17)
InChIKeyPNLIHTPVIYXIGA-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.59
Rot. Bonds4

About 2-cyano-2-ethyl-N-(4-methylpiperazin-1-yl)butanamide

2-cyano-2-ethyl-N-(4-methylpiperazin-1-yl)butanamide (PubChem CID 83015893) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-cyano-2-ethyl-N-(4-methylpiperazin-1-yl)butanamide.

Molecular Properties

Compound Name2-cyano-2-ethyl-N-(4-methylpiperazin-1-yl)butanamide
PubChem CID83015893
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-cyano-2-ethyl-N-(4-methylpiperazin-1-yl)butanamide
SMILESCCC(C#N)(CC)C(=O)NN1CCN(C)CC1
InChIInChI=1S/C12H22N4O/c1-4-12(5-2,10-13)11(17)14-16-8-6-15(3)7-9-16/h4-9H2,1-3H3,(H,14,17)
InChIKeyPNLIHTPVIYXIGA-UHFFFAOYSA-N
XLogP0.59
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 ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-ethyl-N-(4-methylpiperazin-1-yl)butanamide?
The IUPAC name of 2-cyano-2-ethyl-N-(4-methylpiperazin-1-yl)butanamide (CID 83015893) is 2-cyano-2-ethyl-N-(4-methylpiperazin-1-yl)butanamide.
What is the SMILES notation for 2-cyano-2-ethyl-N-(4-methylpiperazin-1-yl)butanamide?
The canonical SMILES for 2-cyano-2-ethyl-N-(4-methylpiperazin-1-yl)butanamide is CCC(C#N)(CC)C(=O)NN1CCN(C)CC1.
What is the InChIKey of 2-cyano-2-ethyl-N-(4-methylpiperazin-1-yl)butanamide?
The InChIKey is PNLIHTPVIYXIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-12(5-2,10-13)11(17)14-16-8-6-15(3)7-9-16/h4-9H2,1-3H3,(H,14,17).
What are the key properties of 2-cyano-2-ethyl-N-(4-methylpiperazin-1-yl)butanamide?
2-cyano-2-ethyl-N-(4-methylpiperazin-1-yl)butanamide has a molecular weight of 238.33 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-ethyl-N-(4-methylpiperazin-1-yl)butanamide is sourced from PubChem (CID 83015893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).