5-[(2-methylpropan-2-yl)oxy]piperidin-2-one

C9H17NO2 — CID 58365060

IUPAC5-[(2-methylpropan-2-yl)oxy]piperidin-2-one
SMILESCC(C)(C)OC1CCC(=O)NC1
InChIInChI=1S/C9H17NO2/c1-9(2,3)12-7-4-5-8(11)10-6-7/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyDMGWVSTWQZWXFN-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.08
Rot. Bonds1

About 5-[(2-methylpropan-2-yl)oxy]piperidin-2-one

5-[(2-methylpropan-2-yl)oxy]piperidin-2-one (PubChem CID 58365060) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 5-[(2-methylpropan-2-yl)oxy]piperidin-2-one.

Molecular Properties

Compound Name5-[(2-methylpropan-2-yl)oxy]piperidin-2-one
PubChem CID58365060
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name5-[(2-methylpropan-2-yl)oxy]piperidin-2-one
SMILESCC(C)(C)OC1CCC(=O)NC1
InChIInChI=1S/C9H17NO2/c1-9(2,3)12-7-4-5-8(11)10-6-7/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyDMGWVSTWQZWXFN-UHFFFAOYSA-N
XLogP1.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpropan-2-yl)oxy]piperidin-2-one?
The IUPAC name of 5-[(2-methylpropan-2-yl)oxy]piperidin-2-one (CID 58365060) is 5-[(2-methylpropan-2-yl)oxy]piperidin-2-one.
What is the SMILES notation for 5-[(2-methylpropan-2-yl)oxy]piperidin-2-one?
The canonical SMILES for 5-[(2-methylpropan-2-yl)oxy]piperidin-2-one is CC(C)(C)OC1CCC(=O)NC1.
What is the InChIKey of 5-[(2-methylpropan-2-yl)oxy]piperidin-2-one?
The InChIKey is DMGWVSTWQZWXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-9(2,3)12-7-4-5-8(11)10-6-7/h7H,4-6H2,1-3H3,(H,10,11).
What are the key properties of 5-[(2-methylpropan-2-yl)oxy]piperidin-2-one?
5-[(2-methylpropan-2-yl)oxy]piperidin-2-one has a molecular weight of 171.24 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpropan-2-yl)oxy]piperidin-2-one is sourced from PubChem (CID 58365060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).