3-(1-propanoylpiperidin-4-yl)-1,3-oxazolidin-2-one

C11H18N2O3 — CID 110710638

IUPAC3-(1-propanoylpiperidin-4-yl)-1,3-oxazolidin-2-one
SMILESCCC(=O)N1CCC(N2CCOC2=O)CC1
InChIInChI=1S/C11H18N2O3/c1-2-10(14)12-5-3-9(4-6-12)13-7-8-16-11(13)15/h9H,2-8H2,1H3
InChIKeySFMARTVBPUAPQU-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.84
Rot. Bonds2

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

3-(1-propanoylpiperidin-4-yl)-1,3-oxazolidin-2-one (PubChem CID 110710638) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-(1-propanoylpiperidin-4-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(1-propanoylpiperidin-4-yl)-1,3-oxazolidin-2-one
PubChem CID110710638
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name3-(1-propanoylpiperidin-4-yl)-1,3-oxazolidin-2-one
SMILESCCC(=O)N1CCC(N2CCOC2=O)CC1
InChIInChI=1S/C11H18N2O3/c1-2-10(14)12-5-3-9(4-6-12)13-7-8-16-11(13)15/h9H,2-8H2,1H3
InChIKeySFMARTVBPUAPQU-UHFFFAOYSA-N
XLogP0.84
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-oxo-1,3-oxazolidin-3-yl)-N-propylpiperidine-1-carboxamide
CID 110747077
(2-methylpropan-2-yl)oxycarbonyl 4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate
CID 175392726
3-(1-ethylsulfonylpiperidin-4-yl)-1,3-oxazolidin-2-one
CID 110710722
3-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 110710696
3-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 110710655
3-(1-butan-2-ylpiperidin-4-yl)-1,3-oxazolidin-2-one
CID 138608058
1-cyclopropyl-4-propanoylpiperazin-2-one
CID 110720711
3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-2-one
CID 135177505
3-[1-(1-acetylpiperidine-3-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 134797018
3-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 110710659
3-[1-(3-ethoxythiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3416894
3-[1-(5-bromothiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3573996

Frequently Asked Questions

What is the IUPAC name of 3-(1-propanoylpiperidin-4-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(1-propanoylpiperidin-4-yl)-1,3-oxazolidin-2-one (CID 110710638) is 3-(1-propanoylpiperidin-4-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(1-propanoylpiperidin-4-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(1-propanoylpiperidin-4-yl)-1,3-oxazolidin-2-one is CCC(=O)N1CCC(N2CCOC2=O)CC1.
What is the InChIKey of 3-(1-propanoylpiperidin-4-yl)-1,3-oxazolidin-2-one?
The InChIKey is SFMARTVBPUAPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-2-10(14)12-5-3-9(4-6-12)13-7-8-16-11(13)15/h9H,2-8H2,1H3.
What are the key properties of 3-(1-propanoylpiperidin-4-yl)-1,3-oxazolidin-2-one?
3-(1-propanoylpiperidin-4-yl)-1,3-oxazolidin-2-one has a molecular weight of 226.28 g/mol, XLogP of 0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propanoylpiperidin-4-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 110710638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).