3-methyl-5-piperidin-1-ylthieno[3,2-b]pyran-7-one

C13H15NO2S — CID 135275988

IUPAC3-methyl-5-piperidin-1-ylthieno[3,2-b]pyran-7-one
SMILESCc1csc2c(=O)cc(N3CCCCC3)oc12
InChIInChI=1S/C13H15NO2S/c1-9-8-17-13-10(15)7-11(16-12(9)13)14-5-3-2-4-6-14/h7-8H,2-6H2,1H3
InChIKeyHGSZYKYWNUUAMU-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.15
Rot. Bonds1

About 3-methyl-5-piperidin-1-ylthieno[3,2-b]pyran-7-one

3-methyl-5-piperidin-1-ylthieno[3,2-b]pyran-7-one (PubChem CID 135275988) has the molecular formula C13H15NO2S and a molecular weight of 249.33 g/mol. Its IUPAC name is 3-methyl-5-piperidin-1-ylthieno[3,2-b]pyran-7-one.

Molecular Properties

Compound Name3-methyl-5-piperidin-1-ylthieno[3,2-b]pyran-7-one
PubChem CID135275988
Molecular FormulaC13H15NO2S
Molecular Weight249.33 g/mol
Exact Mass249.08
IUPAC Name3-methyl-5-piperidin-1-ylthieno[3,2-b]pyran-7-one
SMILESCc1csc2c(=O)cc(N3CCCCC3)oc12
InChIInChI=1S/C13H15NO2S/c1-9-8-17-13-10(15)7-11(16-12(9)13)14-5-3-2-4-6-14/h7-8H,2-6H2,1H3
InChIKeyHGSZYKYWNUUAMU-UHFFFAOYSA-N
XLogP3.15
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;5-morpholin-4-yl-3-propan-2-ylthieno[3,2-b]pyran-7-one
CID 142505811
ethane;5-morpholin-4-yl-3-phenylthieno[3,2-b]pyran-7-one
CID 143839150
3-bromo-5-morpholin-4-ylthieno[3,2-b]pyran-7-one;ethyl 2-oxocyclohexane-1-carboxylate;5-morpholin-4-yl-3-piperidin-1-ylthieno[3,2-b]pyran-7-one;piperidine
CID 158939365
N-hydroxy-4-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)benzamide
CID 118547301
ethane;5-morpholin-4-yl-3-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]thieno[3,2-b]pyran-7-one;propane
CID 142505695
ethane;5-morpholin-4-yl-3-(3-propanoylphenyl)thieno[3,2-b]pyran-7-one
CID 142505751
8-(1-anilinoethyl)-6-methyl-2-piperidin-1-ylchromen-4-one
CID 166778749
3-[(2Z,4E,6E)-7-methylnona-2,4,6-trien-4-yl]-5-morpholin-4-ylthieno[3,2-b]pyran-7-one
CID 157029212
8-[3-(4-methylthiophen-3-yl)phenyl]-2-morpholin-4-ylchromen-4-one
CID 11956324
8-methyl-2-morpholin-4-ylchromen-4-one
CID 10083230
7-methoxy-6,8-diphenyl-2-piperidin-1-ylchromen-4-one
CID 135052987
3-(3-aminophenyl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one;3-(1H-indol-2-yl)-5-piperidin-1-ylthieno[3,2-b]pyran-7-one;3-(3-methylphenyl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one;3-(4-methylphenyl)-5-piperidin-1-ylthieno[3,2-b]pyran-7-one;5-piperidin-1-yl-3-thiophen-2-ylthieno[3,2-b]pyran-7-one
CID 161111239

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-piperidin-1-ylthieno[3,2-b]pyran-7-one?
The IUPAC name of 3-methyl-5-piperidin-1-ylthieno[3,2-b]pyran-7-one (CID 135275988) is 3-methyl-5-piperidin-1-ylthieno[3,2-b]pyran-7-one.
What is the SMILES notation for 3-methyl-5-piperidin-1-ylthieno[3,2-b]pyran-7-one?
The canonical SMILES for 3-methyl-5-piperidin-1-ylthieno[3,2-b]pyran-7-one is Cc1csc2c(=O)cc(N3CCCCC3)oc12.
What is the InChIKey of 3-methyl-5-piperidin-1-ylthieno[3,2-b]pyran-7-one?
The InChIKey is HGSZYKYWNUUAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-9-8-17-13-10(15)7-11(16-12(9)13)14-5-3-2-4-6-14/h7-8H,2-6H2,1H3.
What are the key properties of 3-methyl-5-piperidin-1-ylthieno[3,2-b]pyran-7-one?
3-methyl-5-piperidin-1-ylthieno[3,2-b]pyran-7-one has a molecular weight of 249.33 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-piperidin-1-ylthieno[3,2-b]pyran-7-one is sourced from PubChem (CID 135275988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).