3-(1-butan-2-ylpiperidin-4-yl)-1,3-oxazolidin-2-one

C12H22N2O2 — CID 138608058

IUPAC3-(1-butan-2-ylpiperidin-4-yl)-1,3-oxazolidin-2-one
SMILESCCC(C)N1CCC(N2CCOC2=O)CC1
InChIInChI=1S/C12H22N2O2/c1-3-10(2)13-6-4-11(5-7-13)14-8-9-16-12(14)15/h10-11H,3-9H2,1-2H3
InChIKeyFUZLRKNGUFFUNY-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.70
Rot. Bonds3

About 3-(1-butan-2-ylpiperidin-4-yl)-1,3-oxazolidin-2-one

3-(1-butan-2-ylpiperidin-4-yl)-1,3-oxazolidin-2-one (PubChem CID 138608058) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-(1-butan-2-ylpiperidin-4-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(1-butan-2-ylpiperidin-4-yl)-1,3-oxazolidin-2-one
PubChem CID138608058
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-(1-butan-2-ylpiperidin-4-yl)-1,3-oxazolidin-2-one
SMILESCCC(C)N1CCC(N2CCOC2=O)CC1
InChIInChI=1S/C12H22N2O2/c1-3-10(2)13-6-4-11(5-7-13)14-8-9-16-12(14)15/h10-11H,3-9H2,1-2H3
InChIKeyFUZLRKNGUFFUNY-UHFFFAOYSA-N
XLogP1.70
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-butan-2-ylpiperidin-4-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(1-butan-2-ylpiperidin-4-yl)-1,3-oxazolidin-2-one (CID 138608058) is 3-(1-butan-2-ylpiperidin-4-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(1-butan-2-ylpiperidin-4-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(1-butan-2-ylpiperidin-4-yl)-1,3-oxazolidin-2-one is CCC(C)N1CCC(N2CCOC2=O)CC1.
What is the InChIKey of 3-(1-butan-2-ylpiperidin-4-yl)-1,3-oxazolidin-2-one?
The InChIKey is FUZLRKNGUFFUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-3-10(2)13-6-4-11(5-7-13)14-8-9-16-12(14)15/h10-11H,3-9H2,1-2H3.
What are the key properties of 3-(1-butan-2-ylpiperidin-4-yl)-1,3-oxazolidin-2-one?
3-(1-butan-2-ylpiperidin-4-yl)-1,3-oxazolidin-2-one has a molecular weight of 226.32 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-butan-2-ylpiperidin-4-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 138608058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).