1'-benzyl-6-methoxy-1-phenylspiro[6,7-dihydrothieno[3,4-c]pyran-4,4'-piperidine]

C25H27NO2S — CID 56652221

IUPAC1'-benzyl-6-methoxy-1-phenylspiro[6,7-dihydrothieno[3,4-c]pyran-4,4'-piperidine]
SMILESCOC1Cc2c(csc2-c2ccccc2)C2(CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C25H27NO2S/c1-27-23-16-21-22(18-29-24(21)20-10-6-3-7-11-20)25(28-23)12-14-26(15-13-25)17-19-8-4-2-5-9-19/h2-11,18,23H,12-17H2,1H3
InChIKeyHRZFOYOZKSYQPA-UHFFFAOYSA-N
MW405.56 g/mol
LogP5.45
Rot. Bonds4

About 1'-benzyl-6-methoxy-1-phenylspiro[6,7-dihydrothieno[3,4-c]pyran-4,4'-piperidine]

1'-benzyl-6-methoxy-1-phenylspiro[6,7-dihydrothieno[3,4-c]pyran-4,4'-piperidine] (PubChem CID 56652221) has the molecular formula C25H27NO2S and a molecular weight of 405.56 g/mol. Its IUPAC name is 1'-benzyl-6-methoxy-1-phenylspiro[6,7-dihydrothieno[3,4-c]pyran-4,4'-piperidine].

Molecular Properties

Compound Name1'-benzyl-6-methoxy-1-phenylspiro[6,7-dihydrothieno[3,4-c]pyran-4,4'-piperidine]
PubChem CID56652221
Molecular FormulaC25H27NO2S
Molecular Weight405.56 g/mol
Exact Mass405.18
IUPAC Name1'-benzyl-6-methoxy-1-phenylspiro[6,7-dihydrothieno[3,4-c]pyran-4,4'-piperidine]
SMILESCOC1Cc2c(csc2-c2ccccc2)C2(CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C25H27NO2S/c1-27-23-16-21-22(18-29-24(21)20-10-6-3-7-11-20)25(28-23)12-14-26(15-13-25)17-19-8-4-2-5-9-19/h2-11,18,23H,12-17H2,1H3
InChIKeyHRZFOYOZKSYQPA-UHFFFAOYSA-N
XLogP5.45
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.56
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1'-benzyl-6-methoxy-1-phenylspiro[6,7-dihydrothieno[3,4-c]pyran-4,4'-piperidine] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Benzyl-6-methoxy-6,7-dihydrospiro[piperidine-4,4-thieno[3.2-c]pyran]
CID 25129510
6-Methoxy-1-(3-methylbutyl)-6,7-dihydrospiro[piperidine-4,4-thieno[3.2-c]pyran]
CID 25129512
1-(4-Fluorobenzyl)-6-methoxy-6,7-dihydrospiro[piperidine-4,4-thieno[3.2-c]pyran]
CID 25129862
6-Methoxy-1-(3-methylbut-2-enyl)-6,7-dihydrospiro[piperidine-4,4-thieno[3.2-c]pyran]
CID 25129863
1-(Cyclohexylmethyl)-6-methoxy-6,7-dihydrospiro[piperidine-4,4-thieno[3.2c]pyran]
CID 25129867
1'-Benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 25167087
(6R)-1'-benzyl-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 49798740
(6R)-1'-(cyclohexylmethyl)-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 49798743
(6R)-6-methoxy-1'-(3-methylbut-2-enyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 49798744
1'-Benzylspiro[6,7-dihydrothieno[3,4-c]pyran-4,4'-piperidine]
CID 56651522
1'-Benzyl-6-methoxyspiro[6,7-dihydrothieno[3,4-c]pyran-4,4'-piperidine]
CID 56651523
1'-Benzyl-6-methoxy-1-(4-nitrophenyl)spiro[6,7-dihydrothieno[3,4-c]pyran-4,4'-piperidine]
CID 56652224

Frequently Asked Questions

What is the IUPAC name of 1'-benzyl-6-methoxy-1-phenylspiro[6,7-dihydrothieno[3,4-c]pyran-4,4'-piperidine]?
The IUPAC name of 1'-benzyl-6-methoxy-1-phenylspiro[6,7-dihydrothieno[3,4-c]pyran-4,4'-piperidine] (CID 56652221) is 1'-benzyl-6-methoxy-1-phenylspiro[6,7-dihydrothieno[3,4-c]pyran-4,4'-piperidine].
What is the SMILES notation for 1'-benzyl-6-methoxy-1-phenylspiro[6,7-dihydrothieno[3,4-c]pyran-4,4'-piperidine]?
The canonical SMILES for 1'-benzyl-6-methoxy-1-phenylspiro[6,7-dihydrothieno[3,4-c]pyran-4,4'-piperidine] is COC1Cc2c(csc2-c2ccccc2)C2(CCN(Cc3ccccc3)CC2)O1.
What is the InChIKey of 1'-benzyl-6-methoxy-1-phenylspiro[6,7-dihydrothieno[3,4-c]pyran-4,4'-piperidine]?
The InChIKey is HRZFOYOZKSYQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO2S/c1-27-23-16-21-22(18-29-24(21)20-10-6-3-7-11-20)25(28-23)12-14-26(15-13-25)17-19-8-4-2-5-9-19/h2-11,18,23H,12-17H2,1H3.
What are the key properties of 1'-benzyl-6-methoxy-1-phenylspiro[6,7-dihydrothieno[3,4-c]pyran-4,4'-piperidine]?
1'-benzyl-6-methoxy-1-phenylspiro[6,7-dihydrothieno[3,4-c]pyran-4,4'-piperidine] has a molecular weight of 405.56 g/mol, XLogP of 5.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzyl-6-methoxy-1-phenylspiro[6,7-dihydrothieno[3,4-c]pyran-4,4'-piperidine] is sourced from PubChem (CID 56652221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).