1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-carboxamide

C19H22N2O2S — CID 25167289

IUPAC1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-carboxamide
SMILESNC(=O)C1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C19H22N2O2S/c20-18(22)16-12-17-15(6-11-24-17)19(23-16)7-9-21(10-8-19)13-14-4-2-1-3-5-14/h1-6,11,16H,7-10,12-13H2,(H2,20,22)
InChIKeyUGWBPJCGWLMJQZ-UHFFFAOYSA-N
MW342.46 g/mol
LogP2.67
Rot. Bonds3

About 1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-carboxamide

1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-carboxamide (PubChem CID 25167289) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-carboxamide.

Molecular Properties

Compound Name1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-carboxamide
PubChem CID25167289
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-carboxamide
SMILESNC(=O)C1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C19H22N2O2S/c20-18(22)16-12-17-15(6-11-24-17)19(23-16)7-9-21(10-8-19)13-14-4-2-1-3-5-14/h1-6,11,16H,7-10,12-13H2,(H2,20,22)
InChIKeyUGWBPJCGWLMJQZ-UHFFFAOYSA-N
XLogP2.67
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-carboxamide?
The IUPAC name of 1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-carboxamide (CID 25167289) is 1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-carboxamide.
What is the SMILES notation for 1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-carboxamide?
The canonical SMILES for 1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-carboxamide is NC(=O)C1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1.
What is the InChIKey of 1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-carboxamide?
The InChIKey is UGWBPJCGWLMJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c20-18(22)16-12-17-15(6-11-24-17)19(23-16)7-9-21(10-8-19)13-14-4-2-1-3-5-14/h1-6,11,16H,7-10,12-13H2,(H2,20,22).
What are the key properties of 1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-carboxamide?
1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-carboxamide has a molecular weight of 342.46 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-carboxamide is sourced from PubChem (CID 25167289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).