3-(2-ethyl-3-oxopiperazin-1-yl)pentanenitrile

C11H19N3O — CID 55215760

IUPAC3-(2-ethyl-3-oxopiperazin-1-yl)pentanenitrile
SMILESCCC(CC#N)N1CCNC(=O)C1CC
InChIInChI=1S/C11H19N3O/c1-3-9(5-6-12)14-8-7-13-11(15)10(14)4-2/h9-10H,3-5,7-8H2,1-2H3,(H,13,15)
InChIKeyIMEPCFIWMPWQFD-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.89
Rot. Bonds4

About 3-(2-ethyl-3-oxopiperazin-1-yl)pentanenitrile

3-(2-ethyl-3-oxopiperazin-1-yl)pentanenitrile (PubChem CID 55215760) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-(2-ethyl-3-oxopiperazin-1-yl)pentanenitrile.

Molecular Properties

Compound Name3-(2-ethyl-3-oxopiperazin-1-yl)pentanenitrile
PubChem CID55215760
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-(2-ethyl-3-oxopiperazin-1-yl)pentanenitrile
SMILESCCC(CC#N)N1CCNC(=O)C1CC
InChIInChI=1S/C11H19N3O/c1-3-9(5-6-12)14-8-7-13-11(15)10(14)4-2/h9-10H,3-5,7-8H2,1-2H3,(H,13,15)
InChIKeyIMEPCFIWMPWQFD-UHFFFAOYSA-N
XLogP0.89
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-3-oxopiperazin-1-yl)pentanenitrile?
The IUPAC name of 3-(2-ethyl-3-oxopiperazin-1-yl)pentanenitrile (CID 55215760) is 3-(2-ethyl-3-oxopiperazin-1-yl)pentanenitrile.
What is the SMILES notation for 3-(2-ethyl-3-oxopiperazin-1-yl)pentanenitrile?
The canonical SMILES for 3-(2-ethyl-3-oxopiperazin-1-yl)pentanenitrile is CCC(CC#N)N1CCNC(=O)C1CC.
What is the InChIKey of 3-(2-ethyl-3-oxopiperazin-1-yl)pentanenitrile?
The InChIKey is IMEPCFIWMPWQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-9(5-6-12)14-8-7-13-11(15)10(14)4-2/h9-10H,3-5,7-8H2,1-2H3,(H,13,15).
What are the key properties of 3-(2-ethyl-3-oxopiperazin-1-yl)pentanenitrile?
3-(2-ethyl-3-oxopiperazin-1-yl)pentanenitrile has a molecular weight of 209.29 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-3-oxopiperazin-1-yl)pentanenitrile is sourced from PubChem (CID 55215760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).