6-methoxy-1'-[(4-methoxyphenyl)methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

C20H25NO3S — CID 25129861

IUPAC6-methoxy-1'-[(4-methoxyphenyl)methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESCOc1ccc(CN2CCC3(CC2)OC(OC)Cc2sccc23)cc1
InChIInChI=1S/C20H25NO3S/c1-22-16-5-3-15(4-6-16)14-21-10-8-20(9-11-21)17-7-12-25-18(17)13-19(23-2)24-20/h3-7,12,19H,8-11,13-14H2,1-2H3
InChIKeyZMPHVAHCGKMKJY-UHFFFAOYSA-N
MW359.49 g/mol
LogP3.79
Rot. Bonds4

About 6-methoxy-1'-[(4-methoxyphenyl)methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

6-methoxy-1'-[(4-methoxyphenyl)methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (PubChem CID 25129861) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is 6-methoxy-1'-[(4-methoxyphenyl)methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].

Molecular Properties

Compound Name6-methoxy-1'-[(4-methoxyphenyl)methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
PubChem CID25129861
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC Name6-methoxy-1'-[(4-methoxyphenyl)methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESCOc1ccc(CN2CCC3(CC2)OC(OC)Cc2sccc23)cc1
InChIInChI=1S/C20H25NO3S/c1-22-16-5-3-15(4-6-16)14-21-10-8-20(9-11-21)17-7-12-25-18(17)13-19(23-2)24-20/h3-7,12,19H,8-11,13-14H2,1-2H3
InChIKeyZMPHVAHCGKMKJY-UHFFFAOYSA-N
XLogP3.79
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-methoxy-1'-[(4-methoxyphenyl)methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1'-[(4-methoxyphenyl)methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The IUPAC name of 6-methoxy-1'-[(4-methoxyphenyl)methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (CID 25129861) is 6-methoxy-1'-[(4-methoxyphenyl)methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].
What is the SMILES notation for 6-methoxy-1'-[(4-methoxyphenyl)methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The canonical SMILES for 6-methoxy-1'-[(4-methoxyphenyl)methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is COc1ccc(CN2CCC3(CC2)OC(OC)Cc2sccc23)cc1.
What is the InChIKey of 6-methoxy-1'-[(4-methoxyphenyl)methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The InChIKey is ZMPHVAHCGKMKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3S/c1-22-16-5-3-15(4-6-16)14-21-10-8-20(9-11-21)17-7-12-25-18(17)13-19(23-2)24-20/h3-7,12,19H,8-11,13-14H2,1-2H3.
What are the key properties of 6-methoxy-1'-[(4-methoxyphenyl)methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
6-methoxy-1'-[(4-methoxyphenyl)methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] has a molecular weight of 359.49 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1'-[(4-methoxyphenyl)methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is sourced from PubChem (CID 25129861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).