5-methoxy-2-[(2S)-2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]pyran-4-one

C18H21NO4S — CID 97203173

IUPAC5-methoxy-2-[(2S)-2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]pyran-4-one
SMILESCOc1coc(C(=O)N2CCCC[C@H]2CCc2cccs2)cc1=O
InChIInChI=1S/C18H21NO4S/c1-22-17-12-23-16(11-15(17)20)18(21)19-9-3-2-5-13(19)7-8-14-6-4-10-24-14/h4,6,10-13H,2-3,5,7-9H2,1H3/t13-/m0/s1
InChIKeyBZWSONHJKHWHAF-ZDUSSCGKSA-N
MW347.44 g/mol
LogP3.34
Rot. Bonds5

About 5-methoxy-2-[(2S)-2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]pyran-4-one

5-methoxy-2-[(2S)-2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]pyran-4-one (PubChem CID 97203173) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is 5-methoxy-2-[(2S)-2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]pyran-4-one.

Molecular Properties

Compound Name5-methoxy-2-[(2S)-2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]pyran-4-one
PubChem CID97203173
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name5-methoxy-2-[(2S)-2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]pyran-4-one
SMILESCOc1coc(C(=O)N2CCCC[C@H]2CCc2cccs2)cc1=O
InChIInChI=1S/C18H21NO4S/c1-22-17-12-23-16(11-15(17)20)18(21)19-9-3-2-5-13(19)7-8-14-6-4-10-24-14/h4,6,10-13H,2-3,5,7-9H2,1H3/t13-/m0/s1
InChIKeyBZWSONHJKHWHAF-ZDUSSCGKSA-N
XLogP3.34
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1H-pyrrol-3-yl-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone
CID 131916813
6-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 70733217
2-methyl-6-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]pyridazin-3-one
CID 45229333
5-methoxy-2-[(2S)-2-(1-methylpyrrol-2-yl)piperidine-1-carbonyl]pyran-4-one
CID 125141713
(2-methyl-1,3-thiazol-4-yl)-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone
CID 70724327
morpholin-4-yl-[4-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]phenyl]methanone
CID 131910259
5-[(2R)-2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one
CID 97125561
2-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]benzonitrile
CID 70772329
(2R)-N-(2-methylsulfonylethyl)-2-(2-thiophen-2-ylethyl)piperidine-1-carboxamide
CID 126435167
5-[3-oxo-3-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]propyl]-1,2-oxazol-3-one
CID 70743338
3-(1-methylpyrazol-4-yl)-1-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]propan-1-one
CID 70733559
morpholin-4-yl-[(2S)-2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone
CID 95708561

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(2S)-2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]pyran-4-one?
The IUPAC name of 5-methoxy-2-[(2S)-2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]pyran-4-one (CID 97203173) is 5-methoxy-2-[(2S)-2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]pyran-4-one.
What is the SMILES notation for 5-methoxy-2-[(2S)-2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]pyran-4-one?
The canonical SMILES for 5-methoxy-2-[(2S)-2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]pyran-4-one is COc1coc(C(=O)N2CCCC[C@H]2CCc2cccs2)cc1=O.
What is the InChIKey of 5-methoxy-2-[(2S)-2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]pyran-4-one?
The InChIKey is BZWSONHJKHWHAF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-22-17-12-23-16(11-15(17)20)18(21)19-9-3-2-5-13(19)7-8-14-6-4-10-24-14/h4,6,10-13H,2-3,5,7-9H2,1H3/t13-/m0/s1.
What are the key properties of 5-methoxy-2-[(2S)-2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]pyran-4-one?
5-methoxy-2-[(2S)-2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]pyran-4-one has a molecular weight of 347.44 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(2S)-2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]pyran-4-one is sourced from PubChem (CID 97203173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).