2-[4-(2-oxooxolan-3-yl)piperazin-1-yl]pentanenitrile

C13H21N3O2 — CID 55201972

IUPAC2-[4-(2-oxooxolan-3-yl)piperazin-1-yl]pentanenitrile
SMILESCCCC(C#N)N1CCN(C2CCOC2=O)CC1
InChIInChI=1S/C13H21N3O2/c1-2-3-11(10-14)15-5-7-16(8-6-15)12-4-9-18-13(12)17/h11-12H,2-9H2,1H3
InChIKeyGCOIABHJJAIUSW-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.61
Rot. Bonds4

About 2-[4-(2-oxooxolan-3-yl)piperazin-1-yl]pentanenitrile

2-[4-(2-oxooxolan-3-yl)piperazin-1-yl]pentanenitrile (PubChem CID 55201972) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[4-(2-oxooxolan-3-yl)piperazin-1-yl]pentanenitrile.

Molecular Properties

Compound Name2-[4-(2-oxooxolan-3-yl)piperazin-1-yl]pentanenitrile
PubChem CID55201972
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-[4-(2-oxooxolan-3-yl)piperazin-1-yl]pentanenitrile
SMILESCCCC(C#N)N1CCN(C2CCOC2=O)CC1
InChIInChI=1S/C13H21N3O2/c1-2-3-11(10-14)15-5-7-16(8-6-15)12-4-9-18-13(12)17/h11-12H,2-9H2,1H3
InChIKeyGCOIABHJJAIUSW-UHFFFAOYSA-N
XLogP0.61
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-oxooxolan-3-yl)piperazin-1-yl]pentanenitrile?
The IUPAC name of 2-[4-(2-oxooxolan-3-yl)piperazin-1-yl]pentanenitrile (CID 55201972) is 2-[4-(2-oxooxolan-3-yl)piperazin-1-yl]pentanenitrile.
What is the SMILES notation for 2-[4-(2-oxooxolan-3-yl)piperazin-1-yl]pentanenitrile?
The canonical SMILES for 2-[4-(2-oxooxolan-3-yl)piperazin-1-yl]pentanenitrile is CCCC(C#N)N1CCN(C2CCOC2=O)CC1.
What is the InChIKey of 2-[4-(2-oxooxolan-3-yl)piperazin-1-yl]pentanenitrile?
The InChIKey is GCOIABHJJAIUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-3-11(10-14)15-5-7-16(8-6-15)12-4-9-18-13(12)17/h11-12H,2-9H2,1H3.
What are the key properties of 2-[4-(2-oxooxolan-3-yl)piperazin-1-yl]pentanenitrile?
2-[4-(2-oxooxolan-3-yl)piperazin-1-yl]pentanenitrile has a molecular weight of 251.33 g/mol, XLogP of 0.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-oxooxolan-3-yl)piperazin-1-yl]pentanenitrile is sourced from PubChem (CID 55201972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).