3-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-3-oxopropanenitrile

C11H19N3O — CID 55216609

IUPAC3-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-3-oxopropanenitrile
SMILESCCN1CCN(C(=O)C(C)C#N)CC1C
InChIInChI=1S/C11H19N3O/c1-4-13-5-6-14(8-10(13)3)11(15)9(2)7-12/h9-10H,4-6,8H2,1-3H3
InChIKeyXFLYWPOSPDMTQR-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.70
Rot. Bonds2

About 3-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-3-oxopropanenitrile

3-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-3-oxopropanenitrile (PubChem CID 55216609) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-3-oxopropanenitrile.

Molecular Properties

Compound Name3-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-3-oxopropanenitrile
PubChem CID55216609
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-3-oxopropanenitrile
SMILESCCN1CCN(C(=O)C(C)C#N)CC1C
InChIInChI=1S/C11H19N3O/c1-4-13-5-6-14(8-10(13)3)11(15)9(2)7-12/h9-10H,4-6,8H2,1-3H3
InChIKeyXFLYWPOSPDMTQR-UHFFFAOYSA-N
XLogP0.70
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-3-oxopropanenitrile?
The IUPAC name of 3-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-3-oxopropanenitrile (CID 55216609) is 3-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-3-oxopropanenitrile.
What is the SMILES notation for 3-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-3-oxopropanenitrile?
The canonical SMILES for 3-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-3-oxopropanenitrile is CCN1CCN(C(=O)C(C)C#N)CC1C.
What is the InChIKey of 3-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-3-oxopropanenitrile?
The InChIKey is XFLYWPOSPDMTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-13-5-6-14(8-10(13)3)11(15)9(2)7-12/h9-10H,4-6,8H2,1-3H3.
What are the key properties of 3-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-3-oxopropanenitrile?
3-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-3-oxopropanenitrile has a molecular weight of 209.29 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-3-oxopropanenitrile is sourced from PubChem (CID 55216609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).