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

C9H16N2O2 — CID 64566006

IUPAC1-(oxolan-3-ylmethyl)piperazin-2-one
SMILESO=C1CNCCN1CC1CCOC1
InChIInChI=1S/C9H16N2O2/c12-9-5-10-2-3-11(9)6-8-1-4-13-7-8/h8,10H,1-7H2
InChIKeyQBYYWRLHLLFRPC-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.55
Rot. Bonds2

About 1-(oxolan-3-ylmethyl)piperazin-2-one

1-(oxolan-3-ylmethyl)piperazin-2-one (PubChem CID 64566006) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-(oxolan-3-ylmethyl)piperazin-2-one.

Molecular Properties

Compound Name1-(oxolan-3-ylmethyl)piperazin-2-one
PubChem CID64566006
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-(oxolan-3-ylmethyl)piperazin-2-one
SMILESO=C1CNCCN1CC1CCOC1
InChIInChI=1S/C9H16N2O2/c12-9-5-10-2-3-11(9)6-8-1-4-13-7-8/h8,10H,1-7H2
InChIKeyQBYYWRLHLLFRPC-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 1-(oxolan-3-ylmethyl)piperazin-2-one?
The IUPAC name of 1-(oxolan-3-ylmethyl)piperazin-2-one (CID 64566006) is 1-(oxolan-3-ylmethyl)piperazin-2-one.
What is the SMILES notation for 1-(oxolan-3-ylmethyl)piperazin-2-one?
The canonical SMILES for 1-(oxolan-3-ylmethyl)piperazin-2-one is O=C1CNCCN1CC1CCOC1.
What is the InChIKey of 1-(oxolan-3-ylmethyl)piperazin-2-one?
The InChIKey is QBYYWRLHLLFRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c12-9-5-10-2-3-11(9)6-8-1-4-13-7-8/h8,10H,1-7H2.
What are the key properties of 1-(oxolan-3-ylmethyl)piperazin-2-one?
1-(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 1-(oxolan-3-ylmethyl)piperazin-2-one is sourced from PubChem (CID 64566006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).