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

C10H18N2O2 — CID 64566013

IUPAC1-(oxan-3-ylmethyl)piperazin-2-one
SMILESO=C1CNCCN1CC1CCCOC1
InChIInChI=1S/C10H18N2O2/c13-10-6-11-3-4-12(10)7-9-2-1-5-14-8-9/h9,11H,1-8H2
InChIKeyKBWBFZYJRBYYEA-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.16
Rot. Bonds2

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

1-(oxan-3-ylmethyl)piperazin-2-one (PubChem CID 64566013) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-(oxan-3-ylmethyl)piperazin-2-one.

Molecular Properties

Compound Name1-(oxan-3-ylmethyl)piperazin-2-one
PubChem CID64566013
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-(oxan-3-ylmethyl)piperazin-2-one
SMILESO=C1CNCCN1CC1CCCOC1
InChIInChI=1S/C10H18N2O2/c13-10-6-11-3-4-12(10)7-9-2-1-5-14-8-9/h9,11H,1-8H2
InChIKeyKBWBFZYJRBYYEA-UHFFFAOYSA-N
XLogP-0.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-ylmethyl)piperazin-2-one?
The IUPAC name of 1-(oxan-3-ylmethyl)piperazin-2-one (CID 64566013) is 1-(oxan-3-ylmethyl)piperazin-2-one.
What is the SMILES notation for 1-(oxan-3-ylmethyl)piperazin-2-one?
The canonical SMILES for 1-(oxan-3-ylmethyl)piperazin-2-one is O=C1CNCCN1CC1CCCOC1.
What is the InChIKey of 1-(oxan-3-ylmethyl)piperazin-2-one?
The InChIKey is KBWBFZYJRBYYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c13-10-6-11-3-4-12(10)7-9-2-1-5-14-8-9/h9,11H,1-8H2.
What are the key properties of 1-(oxan-3-ylmethyl)piperazin-2-one?
1-(oxan-3-ylmethyl)piperazin-2-one has a molecular weight of 198.27 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-ylmethyl)piperazin-2-one is sourced from PubChem (CID 64566013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).