4-(oxolan-3-ylmethyl)piperazin-2-one

C9H16N2O2 — CID 128931853

IUPAC4-(oxolan-3-ylmethyl)piperazin-2-one
SMILESO=C1CN(CC2CCOC2)CCN1
InChIInChI=1S/C9H16N2O2/c12-9-6-11(3-2-10-9)5-8-1-4-13-7-8/h8H,1-7H2,(H,10,12)
InChIKeyJZBJUXIAENGMDU-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.55
Rot. Bonds2

About 4-(oxolan-3-ylmethyl)piperazin-2-one

4-(oxolan-3-ylmethyl)piperazin-2-one (PubChem CID 128931853) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 4-(oxolan-3-ylmethyl)piperazin-2-one.

Molecular Properties

Compound Name4-(oxolan-3-ylmethyl)piperazin-2-one
PubChem CID128931853
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name4-(oxolan-3-ylmethyl)piperazin-2-one
SMILESO=C1CN(CC2CCOC2)CCN1
InChIInChI=1S/C9H16N2O2/c12-9-6-11(3-2-10-9)5-8-1-4-13-7-8/h8H,1-7H2,(H,10,12)
InChIKeyJZBJUXIAENGMDU-UHFFFAOYSA-N
XLogP-0.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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 4-(oxolan-3-ylmethyl)piperazin-2-one?
The IUPAC name of 4-(oxolan-3-ylmethyl)piperazin-2-one (CID 128931853) is 4-(oxolan-3-ylmethyl)piperazin-2-one.
What is the SMILES notation for 4-(oxolan-3-ylmethyl)piperazin-2-one?
The canonical SMILES for 4-(oxolan-3-ylmethyl)piperazin-2-one is O=C1CN(CC2CCOC2)CCN1.
What is the InChIKey of 4-(oxolan-3-ylmethyl)piperazin-2-one?
The InChIKey is JZBJUXIAENGMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c12-9-6-11(3-2-10-9)5-8-1-4-13-7-8/h8H,1-7H2,(H,10,12).
What are the key properties of 4-(oxolan-3-ylmethyl)piperazin-2-one?
4-(oxolan-3-ylmethyl)piperazin-2-one has a molecular weight of 184.24 g/mol, XLogP of -0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-3-ylmethyl)piperazin-2-one is sourced from PubChem (CID 128931853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).