oxolan-3-yl(piperazin-1-yl)methanone

C9H16N2O2 — CID 61273040

IUPACoxolan-3-yl(piperazin-1-yl)methanone
SMILESO=C(C1CCOC1)N1CCNCC1
InChIInChI=1S/C9H16N2O2/c12-9(8-1-6-13-7-8)11-4-2-10-3-5-11/h8,10H,1-7H2
InChIKeyXFWIDOUTQPOITQ-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.55
Rot. Bonds1

About oxolan-3-yl(piperazin-1-yl)methanone

oxolan-3-yl(piperazin-1-yl)methanone (PubChem CID 61273040) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is oxolan-3-yl(piperazin-1-yl)methanone.

Molecular Properties

Compound Nameoxolan-3-yl(piperazin-1-yl)methanone
PubChem CID61273040
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Nameoxolan-3-yl(piperazin-1-yl)methanone
SMILESO=C(C1CCOC1)N1CCNCC1
InChIInChI=1S/C9H16N2O2/c12-9(8-1-6-13-7-8)11-4-2-10-3-5-11/h8,10H,1-7H2
InChIKeyXFWIDOUTQPOITQ-UHFFFAOYSA-N
XLogP-0.55
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 ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl(piperazin-1-yl)methanone?
The IUPAC name of oxolan-3-yl(piperazin-1-yl)methanone (CID 61273040) is oxolan-3-yl(piperazin-1-yl)methanone.
What is the SMILES notation for oxolan-3-yl(piperazin-1-yl)methanone?
The canonical SMILES for oxolan-3-yl(piperazin-1-yl)methanone is O=C(C1CCOC1)N1CCNCC1.
What is the InChIKey of oxolan-3-yl(piperazin-1-yl)methanone?
The InChIKey is XFWIDOUTQPOITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c12-9(8-1-6-13-7-8)11-4-2-10-3-5-11/h8,10H,1-7H2.
What are the key properties of oxolan-3-yl(piperazin-1-yl)methanone?
oxolan-3-yl(piperazin-1-yl)methanone has a molecular weight of 184.24 g/mol, XLogP of -0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl(piperazin-1-yl)methanone is sourced from PubChem (CID 61273040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).