2-(4-ethyl-3-methyl-5-oxopiperidin-1-yl)butanenitrile

C12H20N2O — CID 68903241

IUPAC2-(4-ethyl-3-methyl-5-oxopiperidin-1-yl)butanenitrile
SMILESCCC1C(=O)CN(C(C#N)CC)CC1C
InChIInChI=1S/C12H20N2O/c1-4-10(6-13)14-7-9(3)11(5-2)12(15)8-14/h9-11H,4-5,7-8H2,1-3H3
InChIKeyGWQPZTADVNKYCL-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.84
Rot. Bonds3

About 2-(4-ethyl-3-methyl-5-oxopiperidin-1-yl)butanenitrile

2-(4-ethyl-3-methyl-5-oxopiperidin-1-yl)butanenitrile (PubChem CID 68903241) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-(4-ethyl-3-methyl-5-oxopiperidin-1-yl)butanenitrile.

Molecular Properties

Compound Name2-(4-ethyl-3-methyl-5-oxopiperidin-1-yl)butanenitrile
PubChem CID68903241
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-(4-ethyl-3-methyl-5-oxopiperidin-1-yl)butanenitrile
SMILESCCC1C(=O)CN(C(C#N)CC)CC1C
InChIInChI=1S/C12H20N2O/c1-4-10(6-13)14-7-9(3)11(5-2)12(15)8-14/h9-11H,4-5,7-8H2,1-3H3
InChIKeyGWQPZTADVNKYCL-UHFFFAOYSA-N
XLogP1.84
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3-methyl-5-oxopiperidin-1-yl)butanenitrile?
The IUPAC name of 2-(4-ethyl-3-methyl-5-oxopiperidin-1-yl)butanenitrile (CID 68903241) is 2-(4-ethyl-3-methyl-5-oxopiperidin-1-yl)butanenitrile.
What is the SMILES notation for 2-(4-ethyl-3-methyl-5-oxopiperidin-1-yl)butanenitrile?
The canonical SMILES for 2-(4-ethyl-3-methyl-5-oxopiperidin-1-yl)butanenitrile is CCC1C(=O)CN(C(C#N)CC)CC1C.
What is the InChIKey of 2-(4-ethyl-3-methyl-5-oxopiperidin-1-yl)butanenitrile?
The InChIKey is GWQPZTADVNKYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-10(6-13)14-7-9(3)11(5-2)12(15)8-14/h9-11H,4-5,7-8H2,1-3H3.
What are the key properties of 2-(4-ethyl-3-methyl-5-oxopiperidin-1-yl)butanenitrile?
2-(4-ethyl-3-methyl-5-oxopiperidin-1-yl)butanenitrile has a molecular weight of 208.30 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3-methyl-5-oxopiperidin-1-yl)butanenitrile is sourced from PubChem (CID 68903241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).