3-[(3S,4S)-3-methoxypiperidin-4-yl]-1,3-oxazolidin-2-one

C9H16N2O3 — CID 68501721

IUPAC3-[(3S,4S)-3-methoxypiperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCO[C@H]1CNCC[C@@H]1N1CCOC1=O
InChIInChI=1S/C9H16N2O3/c1-13-8-6-10-3-2-7(8)11-4-5-14-9(11)12/h7-8,10H,2-6H2,1H3/t7-,8-/m0/s1
InChIKeyDTWQDJVBHNSCIV-YUMQZZPRSA-N
MW200.24 g/mol
LogP-0.18
Rot. Bonds2

About 3-[(3S,4S)-3-methoxypiperidin-4-yl]-1,3-oxazolidin-2-one

3-[(3S,4S)-3-methoxypiperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 68501721) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-[(3S,4S)-3-methoxypiperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3S,4S)-3-methoxypiperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID68501721
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name3-[(3S,4S)-3-methoxypiperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCO[C@H]1CNCC[C@@H]1N1CCOC1=O
InChIInChI=1S/C9H16N2O3/c1-13-8-6-10-3-2-7(8)11-4-5-14-9(11)12/h7-8,10H,2-6H2,1H3/t7-,8-/m0/s1
InChIKeyDTWQDJVBHNSCIV-YUMQZZPRSA-N
XLogP-0.18
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S,4S)-3-methoxypiperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3S,4S)-3-methoxypiperidin-4-yl]-1,3-oxazolidin-2-one (CID 68501721) is 3-[(3S,4S)-3-methoxypiperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3S,4S)-3-methoxypiperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3S,4S)-3-methoxypiperidin-4-yl]-1,3-oxazolidin-2-one is CO[C@H]1CNCC[C@@H]1N1CCOC1=O.
What is the InChIKey of 3-[(3S,4S)-3-methoxypiperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is DTWQDJVBHNSCIV-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-13-8-6-10-3-2-7(8)11-4-5-14-9(11)12/h7-8,10H,2-6H2,1H3/t7-,8-/m0/s1.
What are the key properties of 3-[(3S,4S)-3-methoxypiperidin-4-yl]-1,3-oxazolidin-2-one?
3-[(3S,4S)-3-methoxypiperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 200.24 g/mol, XLogP of -0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S,4S)-3-methoxypiperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 68501721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).