3-methoxy-1-[2-[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one

C15H22N2O5S — CID 97283001

IUPAC3-methoxy-1-[2-[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
SMILESCOc1cccn(CC(=O)N2CCC[C@H](CS(C)(=O)=O)C2)c1=O
InChIInChI=1S/C15H22N2O5S/c1-22-13-6-4-8-17(15(13)19)10-14(18)16-7-3-5-12(9-16)11-23(2,20)21/h4,6,8,12H,3,5,7,9-11H2,1-2H3/t12-/m0/s1
InChIKeyQWKBMKMZVLLFLB-LBPRGKRZSA-N
MW342.42 g/mol
LogP0.14
Rot. Bonds5

About 3-methoxy-1-[2-[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one

3-methoxy-1-[2-[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one (PubChem CID 97283001) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is 3-methoxy-1-[2-[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name3-methoxy-1-[2-[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
PubChem CID97283001
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name3-methoxy-1-[2-[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
SMILESCOc1cccn(CC(=O)N2CCC[C@H](CS(C)(=O)=O)C2)c1=O
InChIInChI=1S/C15H22N2O5S/c1-22-13-6-4-8-17(15(13)19)10-14(18)16-7-3-5-12(9-16)11-23(2,20)21/h4,6,8,12H,3,5,7,9-11H2,1-2H3/t12-/m0/s1
InChIKeyQWKBMKMZVLLFLB-LBPRGKRZSA-N
XLogP0.14
TPSA85.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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3-methoxy-1-[2-[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-2-oxoethyl]pyridin-2-one
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1-[2-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-oxoethyl]-3-methoxypyridin-2-one
CID 97284852
3-methoxy-1-[2-(9-oxa-2-azaspiro[5.5]undecan-2-yl)-2-oxoethyl]pyridin-2-one
CID 72884824
(3-methoxyphenyl)-[3-(methylsulfonylmethyl)piperidin-1-yl]methanone
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2-(1H-benzimidazol-2-yl)-1-[3-(methylsulfonylmethyl)piperidin-1-yl]ethanone
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1-[3-(2-aminoethyl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 63765744
1-[2-[(3S)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 95860963
1-[2-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-2-oxoethyl]-3-methoxypyridin-2-one;hydrochloride
CID 154899860
3-methoxy-1-[2-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[2-[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one?
The IUPAC name of 3-methoxy-1-[2-[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one (CID 97283001) is 3-methoxy-1-[2-[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 3-methoxy-1-[2-[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 3-methoxy-1-[2-[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one is COc1cccn(CC(=O)N2CCC[C@H](CS(C)(=O)=O)C2)c1=O.
What is the InChIKey of 3-methoxy-1-[2-[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one?
The InChIKey is QWKBMKMZVLLFLB-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-22-13-6-4-8-17(15(13)19)10-14(18)16-7-3-5-12(9-16)11-23(2,20)21/h4,6,8,12H,3,5,7,9-11H2,1-2H3/t12-/m0/s1.
What are the key properties of 3-methoxy-1-[2-[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one?
3-methoxy-1-[2-[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one has a molecular weight of 342.42 g/mol, XLogP of 0.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[2-[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 97283001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).