3-(2-piperazin-1-ylethylamino)cyclopent-2-en-1-one

C11H19N3O — CID 94830329

IUPAC3-(2-piperazin-1-ylethylamino)cyclopent-2-en-1-one
SMILESO=C1C=C(NCCN2CCNCC2)CC1
InChIInChI=1S/C11H19N3O/c15-11-2-1-10(9-11)13-5-8-14-6-3-12-4-7-14/h9,12-13H,1-8H2
InChIKeyLGRGZAYPVWBUNZ-UHFFFAOYSA-N
MW209.29 g/mol
LogP-0.27
Rot. Bonds4

About 3-(2-piperazin-1-ylethylamino)cyclopent-2-en-1-one

3-(2-piperazin-1-ylethylamino)cyclopent-2-en-1-one (PubChem CID 94830329) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-(2-piperazin-1-ylethylamino)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(2-piperazin-1-ylethylamino)cyclopent-2-en-1-one
PubChem CID94830329
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-(2-piperazin-1-ylethylamino)cyclopent-2-en-1-one
SMILESO=C1C=C(NCCN2CCNCC2)CC1
InChIInChI=1S/C11H19N3O/c15-11-2-1-10(9-11)13-5-8-14-6-3-12-4-7-14/h9,12-13H,1-8H2
InChIKeyLGRGZAYPVWBUNZ-UHFFFAOYSA-N
XLogP-0.27
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-piperazin-1-ylethylamino)cyclopent-2-en-1-one?
The IUPAC name of 3-(2-piperazin-1-ylethylamino)cyclopent-2-en-1-one (CID 94830329) is 3-(2-piperazin-1-ylethylamino)cyclopent-2-en-1-one.
What is the SMILES notation for 3-(2-piperazin-1-ylethylamino)cyclopent-2-en-1-one?
The canonical SMILES for 3-(2-piperazin-1-ylethylamino)cyclopent-2-en-1-one is O=C1C=C(NCCN2CCNCC2)CC1.
What is the InChIKey of 3-(2-piperazin-1-ylethylamino)cyclopent-2-en-1-one?
The InChIKey is LGRGZAYPVWBUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c15-11-2-1-10(9-11)13-5-8-14-6-3-12-4-7-14/h9,12-13H,1-8H2.
What are the key properties of 3-(2-piperazin-1-ylethylamino)cyclopent-2-en-1-one?
3-(2-piperazin-1-ylethylamino)cyclopent-2-en-1-one has a molecular weight of 209.29 g/mol, XLogP of -0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperazin-1-ylethylamino)cyclopent-2-en-1-one is sourced from PubChem (CID 94830329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).