1'-benzyl-3-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

C24H25NOS — CID 70677393

IUPAC1'-benzyl-3-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESc1ccc(CN2CCC3(CC2)OCCc2c(-c4ccccc4)csc23)cc1
InChIInChI=1S/C24H25NOS/c1-3-7-19(8-4-1)17-25-14-12-24(13-15-25)23-21(11-16-26-24)22(18-27-23)20-9-5-2-6-10-20/h1-10,18H,11-17H2
InChIKeyPJHONUDCHXIVKA-UHFFFAOYSA-N
MW375.54 g/mol
LogP5.48
Rot. Bonds3

About 1'-benzyl-3-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

1'-benzyl-3-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (PubChem CID 70677393) has the molecular formula C24H25NOS and a molecular weight of 375.54 g/mol. Its IUPAC name is 1'-benzyl-3-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].

Molecular Properties

Compound Name1'-benzyl-3-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
PubChem CID70677393
Molecular FormulaC24H25NOS
Molecular Weight375.54 g/mol
Exact Mass375.17
IUPAC Name1'-benzyl-3-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESc1ccc(CN2CCC3(CC2)OCCc2c(-c4ccccc4)csc23)cc1
InChIInChI=1S/C24H25NOS/c1-3-7-19(8-4-1)17-25-14-12-24(13-15-25)23-21(11-16-26-24)22(18-27-23)20-9-5-2-6-10-20/h1-10,18H,11-17H2
InChIKeyPJHONUDCHXIVKA-UHFFFAOYSA-N
XLogP5.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.54
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-benzyl-3-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The IUPAC name of 1'-benzyl-3-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (CID 70677393) is 1'-benzyl-3-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].
What is the SMILES notation for 1'-benzyl-3-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The canonical SMILES for 1'-benzyl-3-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is c1ccc(CN2CCC3(CC2)OCCc2c(-c4ccccc4)csc23)cc1.
What is the InChIKey of 1'-benzyl-3-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The InChIKey is PJHONUDCHXIVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NOS/c1-3-7-19(8-4-1)17-25-14-12-24(13-15-25)23-21(11-16-26-24)22(18-27-23)20-9-5-2-6-10-20/h1-10,18H,11-17H2.
What are the key properties of 1'-benzyl-3-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
1'-benzyl-3-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] has a molecular weight of 375.54 g/mol, XLogP of 5.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzyl-3-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is sourced from PubChem (CID 70677393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).