(3S)-3-(methoxymethyl)piperidin-2-one

C7H13NO2 — CID 54226516

IUPAC(3S)-3-(methoxymethyl)piperidin-2-one
SMILESCOC[C@@H]1CCCNC1=O
InChIInChI=1S/C7H13NO2/c1-10-5-6-3-2-4-8-7(6)9/h6H,2-5H2,1H3,(H,8,9)/t6-/m0/s1
InChIKeyQGFVOASZGAHLAL-LURJTMIESA-N
MW143.19 g/mol
LogP0.16
Rot. Bonds2

About (3S)-3-(methoxymethyl)piperidin-2-one

(3S)-3-(methoxymethyl)piperidin-2-one (PubChem CID 54226516) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (3S)-3-(methoxymethyl)piperidin-2-one.

Molecular Properties

Compound Name(3S)-3-(methoxymethyl)piperidin-2-one
PubChem CID54226516
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(3S)-3-(methoxymethyl)piperidin-2-one
SMILESCOC[C@@H]1CCCNC1=O
InChIInChI=1S/C7H13NO2/c1-10-5-6-3-2-4-8-7(6)9/h6H,2-5H2,1H3,(H,8,9)/t6-/m0/s1
InChIKeyQGFVOASZGAHLAL-LURJTMIESA-N
XLogP0.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2-oxoazepan-3-yl)methyl carbonate
CID 139614843
3-[(dimethylamino)methyl]piperidin-2-one
CID 152616281
3-but-2-ynylpiperidin-2-one
CID 104679069
3-[2-(2-methoxyethoxy)ethyl]azepan-2-one
CID 104679615
3-(phenylmethoxymethyl)piperidin-2-one
CID 102941255
3-(2-hydroxy-3-methoxypropyl)azepan-2-one
CID 104679704
3-(cyclohexylmethyl)piperidin-2-one
CID 104679133
3-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-2-one
CID 106993166
3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethyl]piperidin-2-one
CID 141379218
3-dodecylpiperidin-2-one
CID 67992079
3-[(2-methoxyphenyl)methyl]piperidin-2-one
CID 104679153
3-(2-ethyl-2-hydroxybutyl)piperidin-2-one
CID 114497694

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(methoxymethyl)piperidin-2-one?
The IUPAC name of (3S)-3-(methoxymethyl)piperidin-2-one (CID 54226516) is (3S)-3-(methoxymethyl)piperidin-2-one.
What is the SMILES notation for (3S)-3-(methoxymethyl)piperidin-2-one?
The canonical SMILES for (3S)-3-(methoxymethyl)piperidin-2-one is COC[C@@H]1CCCNC1=O.
What is the InChIKey of (3S)-3-(methoxymethyl)piperidin-2-one?
The InChIKey is QGFVOASZGAHLAL-LURJTMIESA-N. The full InChI is InChI=1S/C7H13NO2/c1-10-5-6-3-2-4-8-7(6)9/h6H,2-5H2,1H3,(H,8,9)/t6-/m0/s1.
What are the key properties of (3S)-3-(methoxymethyl)piperidin-2-one?
(3S)-3-(methoxymethyl)piperidin-2-one has a molecular weight of 143.19 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(methoxymethyl)piperidin-2-one is sourced from PubChem (CID 54226516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).