1'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

C24H26N2O2S — CID 70697597

IUPAC1'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESc1ccc(COc2ccc(CN3CCC4(CC3)OCCc3sccc34)cc2)nc1
InChIInChI=1S/C24H26N2O2S/c1-2-12-25-20(3-1)18-27-21-6-4-19(5-7-21)17-26-13-10-24(11-14-26)22-9-16-29-23(22)8-15-28-24/h1-7,9,12,16H,8,10-11,13-15,17-18H2
InChIKeyUPIUQGQYQVGATL-UHFFFAOYSA-N
MW406.55 g/mol
LogP4.79
Rot. Bonds5

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

1'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (PubChem CID 70697597) has the molecular formula C24H26N2O2S and a molecular weight of 406.55 g/mol. Its IUPAC name is 1'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].

Molecular Properties

Compound Name1'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
PubChem CID70697597
Molecular FormulaC24H26N2O2S
Molecular Weight406.55 g/mol
Exact Mass406.17
IUPAC Name1'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESc1ccc(COc2ccc(CN3CCC4(CC3)OCCc3sccc34)cc2)nc1
InChIInChI=1S/C24H26N2O2S/c1-2-12-25-20(3-1)18-27-21-6-4-19(5-7-21)17-26-13-10-24(11-14-26)22-9-16-29-23(22)8-15-28-24/h1-7,9,12,16H,8,10-11,13-15,17-18H2
InChIKeyUPIUQGQYQVGATL-UHFFFAOYSA-N
XLogP4.79
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1'-[[4-(pyridin-2-ylmethoxy)phenyl]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 1'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The IUPAC name of 1'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (CID 70697597) is 1'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].
What is the SMILES notation for 1'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The canonical SMILES for 1'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is c1ccc(COc2ccc(CN3CCC4(CC3)OCCc3sccc34)cc2)nc1.
What is the InChIKey of 1'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The InChIKey is UPIUQGQYQVGATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2S/c1-2-12-25-20(3-1)18-27-21-6-4-19(5-7-21)17-26-13-10-24(11-14-26)22-9-16-29-23(22)8-15-28-24/h1-7,9,12,16H,8,10-11,13-15,17-18H2.
What are the key properties of 1'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
1'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] has a molecular weight of 406.55 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is sourced from PubChem (CID 70697597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).