oxolan-2-yl(piperazin-1-yl)methanone

C9H16N2O2 — CID 2734641

IUPACoxolan-2-yl(piperazin-1-yl)methanone
SMILESO=C(C1CCCO1)N1CCNCC1
InChIInChI=1S/C9H16N2O2/c12-9(8-2-1-7-13-8)11-5-3-10-4-6-11/h8,10H,1-7H2
InChIKeyUKESBLFBQANJHH-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.40
Rot. Bonds1

About oxolan-2-yl(piperazin-1-yl)methanone

oxolan-2-yl(piperazin-1-yl)methanone (PubChem CID 2734641) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is oxolan-2-yl(piperazin-1-yl)methanone.

Molecular Properties

Compound Nameoxolan-2-yl(piperazin-1-yl)methanone
PubChem CID2734641
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Nameoxolan-2-yl(piperazin-1-yl)methanone
SMILESO=C(C1CCCO1)N1CCNCC1
InChIInChI=1S/C9H16N2O2/c12-9(8-2-1-7-13-8)11-5-3-10-4-6-11/h8,10H,1-7H2
InChIKeyUKESBLFBQANJHH-UHFFFAOYSA-N
XLogP-0.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze oxolan-2-yl(piperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl(piperazin-1-yl)methanone?
The IUPAC name of oxolan-2-yl(piperazin-1-yl)methanone (CID 2734641) is oxolan-2-yl(piperazin-1-yl)methanone.
What is the SMILES notation for oxolan-2-yl(piperazin-1-yl)methanone?
The canonical SMILES for oxolan-2-yl(piperazin-1-yl)methanone is O=C(C1CCCO1)N1CCNCC1.
What is the InChIKey of oxolan-2-yl(piperazin-1-yl)methanone?
The InChIKey is UKESBLFBQANJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c12-9(8-2-1-7-13-8)11-5-3-10-4-6-11/h8,10H,1-7H2.
What are the key properties of oxolan-2-yl(piperazin-1-yl)methanone?
oxolan-2-yl(piperazin-1-yl)methanone has a molecular weight of 184.24 g/mol, XLogP of -0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl(piperazin-1-yl)methanone is sourced from PubChem (CID 2734641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).