(3R)-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one

C9H18N2O2 — CID 58058025

IUPAC(3R)-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one
SMILESCC(C)(C)OC[C@H]1NCCNC1=O
InChIInChI=1S/C9H18N2O2/c1-9(2,3)13-6-7-8(12)11-5-4-10-7/h7,10H,4-6H2,1-3H3,(H,11,12)/t7-/m1/s1
InChIKeyLCZHEYSGJREGGL-SSDOTTSWSA-N
MW186.25 g/mol
LogP-0.11
Rot. Bonds2

About (3R)-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one

(3R)-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one (PubChem CID 58058025) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (3R)-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one.

Molecular Properties

Compound Name(3R)-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one
PubChem CID58058025
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(3R)-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one
SMILESCC(C)(C)OC[C@H]1NCCNC1=O
InChIInChI=1S/C9H18N2O2/c1-9(2,3)13-6-7-8(12)11-5-4-10-7/h7,10H,4-6H2,1-3H3,(H,11,12)/t7-/m1/s1
InChIKeyLCZHEYSGJREGGL-SSDOTTSWSA-N
XLogP-0.11
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one?
The IUPAC name of (3R)-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one (CID 58058025) is (3R)-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one.
What is the SMILES notation for (3R)-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one?
The canonical SMILES for (3R)-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one is CC(C)(C)OC[C@H]1NCCNC1=O.
What is the InChIKey of (3R)-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one?
The InChIKey is LCZHEYSGJREGGL-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-9(2,3)13-6-7-8(12)11-5-4-10-7/h7,10H,4-6H2,1-3H3,(H,11,12)/t7-/m1/s1.
What are the key properties of (3R)-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one?
(3R)-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one has a molecular weight of 186.25 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one is sourced from PubChem (CID 58058025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).