2-methoxy-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone

C12H18N2O2S — CID 95051897

IUPAC2-methoxy-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC[C@@H](c2nc(C)cs2)C1
InChIInChI=1S/C12H18N2O2S/c1-9-8-17-12(13-9)10-4-3-5-14(6-10)11(15)7-16-2/h8,10H,3-7H2,1-2H3/t10-/m1/s1
InChIKeyLQRKDSFWWOXJST-SNVBAGLBSA-N
MW254.35 g/mol
LogP1.80
Rot. Bonds3

About 2-methoxy-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone

2-methoxy-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 95051897) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-methoxy-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
PubChem CID95051897
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-methoxy-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC[C@@H](c2nc(C)cs2)C1
InChIInChI=1S/C12H18N2O2S/c1-9-8-17-12(13-9)10-4-3-5-14(6-10)11(15)7-16-2/h8,10H,3-7H2,1-2H3/t10-/m1/s1
InChIKeyLQRKDSFWWOXJST-SNVBAGLBSA-N
XLogP1.80
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-phenylmethoxyethanone
CID 95778905
1-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone
CID 95779059
2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 138016873
N-[2-[2-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide
CID 95097272
N-[[2-[1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
CID 71842063
4-[2-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]benzoic acid
CID 129470154
6-methyl-2-[2-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 95778986
(1-aminocyclohexyl)-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119873411
3-imidazol-1-yl-1-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95779153
1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-[(2S)-oxan-2-yl]propan-1-one
CID 95778944
2-(2,5-difluorophenyl)-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95779150
[3-(methoxymethyl)phenyl]-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95779039

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone (CID 95051897) is 2-methoxy-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone is COCC(=O)N1CCC[C@@H](c2nc(C)cs2)C1.
What is the InChIKey of 2-methoxy-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is LQRKDSFWWOXJST-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9-8-17-12(13-9)10-4-3-5-14(6-10)11(15)7-16-2/h8,10H,3-7H2,1-2H3/t10-/m1/s1.
What are the key properties of 2-methoxy-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
2-methoxy-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 254.35 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 95051897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).