1-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one

C9H18N2O2 — CID 66660500

IUPAC1-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one
SMILESCC(C)(C)OCN1CCNCC1=O
InChIInChI=1S/C9H18N2O2/c1-9(2,3)13-7-11-5-4-10-6-8(11)12/h10H,4-7H2,1-3H3
InChIKeyAGOQAKWRYTWITA-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.19
Rot. Bonds2

About 1-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one

1-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one (PubChem CID 66660500) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one
PubChem CID66660500
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one
SMILESCC(C)(C)OCN1CCNCC1=O
InChIInChI=1S/C9H18N2O2/c1-9(2,3)13-7-11-5-4-10-6-8(11)12/h10H,4-7H2,1-3H3
InChIKeyAGOQAKWRYTWITA-UHFFFAOYSA-N
XLogP0.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one 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 1-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one (CID 66660500) is 1-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one is CC(C)(C)OCN1CCNCC1=O.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one?
The InChIKey is AGOQAKWRYTWITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-9(2,3)13-7-11-5-4-10-6-8(11)12/h10H,4-7H2,1-3H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one?
1-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one has a molecular weight of 186.25 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one is sourced from PubChem (CID 66660500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).