3-[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]-1,3-oxazolidin-2-one

C10H16N2O4 — CID 107225668

IUPAC3-[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]-1,3-oxazolidin-2-one
SMILESO=C(CN1CCC[C@H](O)C1)N1CCOC1=O
InChIInChI=1S/C10H16N2O4/c13-8-2-1-3-11(6-8)7-9(14)12-4-5-16-10(12)15/h8,13H,1-7H2/t8-/m0/s1
InChIKeyLZIHDWGEPGHKHJ-QMMMGPOBSA-N
MW228.25 g/mol
LogP-0.58
Rot. Bonds2

About 3-[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]-1,3-oxazolidin-2-one

3-[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]-1,3-oxazolidin-2-one (PubChem CID 107225668) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]-1,3-oxazolidin-2-one
PubChem CID107225668
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name3-[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]-1,3-oxazolidin-2-one
SMILESO=C(CN1CCC[C@H](O)C1)N1CCOC1=O
InChIInChI=1S/C10H16N2O4/c13-8-2-1-3-11(6-8)7-9(14)12-4-5-16-10(12)15/h8,13H,1-7H2/t8-/m0/s1
InChIKeyLZIHDWGEPGHKHJ-QMMMGPOBSA-N
XLogP-0.58
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-3,4-dicarboxylic acid
CID 115918754
1-(azocan-1-yl)-2-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 107226024
1-(azepan-1-yl)-2-[(3R)-3-hydroxypiperidin-1-yl]ethanone
CID 129367078
2-(3-hydroxypiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 60645203
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 107225699
3-[2-[2-(1-aminoethyl)morpholin-4-yl]acetyl]-1,3-oxazolidin-2-one
CID 113285046
4-hydroxy-1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-2-carboxylic acid
CID 114351690
3-[1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidin-4-yl]propanoic acid
CID 62216172
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-hydroxypiperidin-1-yl)ethanone
CID 60645184
3-methyl-1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-2-carboxylic acid
CID 107072467
1-(azocan-1-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62917489
1-(azepan-1-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 78962281

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]-1,3-oxazolidin-2-one (CID 107225668) is 3-[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]-1,3-oxazolidin-2-one is O=C(CN1CCC[C@H](O)C1)N1CCOC1=O.
What is the InChIKey of 3-[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]-1,3-oxazolidin-2-one?
The InChIKey is LZIHDWGEPGHKHJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16N2O4/c13-8-2-1-3-11(6-8)7-9(14)12-4-5-16-10(12)15/h8,13H,1-7H2/t8-/m0/s1.
What are the key properties of 3-[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]-1,3-oxazolidin-2-one?
3-[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]-1,3-oxazolidin-2-one has a molecular weight of 228.25 g/mol, XLogP of -0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 107225668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).