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

C24H23NO2S — CID 71489722

IUPAC1'-benzyl-2-phenylspiro[4H-thieno[2,3-c]pyran-7,4'-piperidine]-5-one
SMILESO=C1Cc2cc(-c3ccccc3)sc2C2(CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C24H23NO2S/c26-22-16-20-15-21(19-9-5-2-6-10-19)28-23(20)24(27-22)11-13-25(14-12-24)17-18-7-3-1-4-8-18/h1-10,15H,11-14,16-17H2
InChIKeyZYYIIINQXUTCOU-UHFFFAOYSA-N
MW389.52 g/mol
LogP5.01
Rot. Bonds3

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

1'-benzyl-2-phenylspiro[4H-thieno[2,3-c]pyran-7,4'-piperidine]-5-one (PubChem CID 71489722) has the molecular formula C24H23NO2S and a molecular weight of 389.52 g/mol. Its IUPAC name is 1'-benzyl-2-phenylspiro[4H-thieno[2,3-c]pyran-7,4'-piperidine]-5-one.

Molecular Properties

Compound Name1'-benzyl-2-phenylspiro[4H-thieno[2,3-c]pyran-7,4'-piperidine]-5-one
PubChem CID71489722
Molecular FormulaC24H23NO2S
Molecular Weight389.52 g/mol
Exact Mass389.14
IUPAC Name1'-benzyl-2-phenylspiro[4H-thieno[2,3-c]pyran-7,4'-piperidine]-5-one
SMILESO=C1Cc2cc(-c3ccccc3)sc2C2(CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C24H23NO2S/c26-22-16-20-15-21(19-9-5-2-6-10-19)28-23(20)24(27-22)11-13-25(14-12-24)17-18-7-3-1-4-8-18/h1-10,15H,11-14,16-17H2
InChIKeyZYYIIINQXUTCOU-UHFFFAOYSA-N
XLogP5.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.52
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-6'-phenylspiro[piperidine-4,3'-thieno[3,4-c]furan]-1'-one
CID 71489717
8-benzyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 19814236
4-[1-benzyl-4'-(4-cyanophenyl)-1'-oxospiro[piperidine-4,3'-thieno[3,4-c]furan]-6'-yl]benzonitrile
CID 71583297
8-benzyl-4-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
CID 12832700
3,8-dibenzyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 19814309
1'-benzyl-5-ethylspiro[2-benzofuran-3,4'-piperidine]-1-one;hydrochloride
CID 22660725
1-[3-oxo-3-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)propyl]pyrrolidin-2-one
CID 170508089
3-(4-benzylpiperazin-1-yl)-1-(5-phenylthiophen-2-yl)propan-1-one;dihydrochloride
CID 10298423
1'-benzylspiro[3H-indene-2,4'-piperidine]-1-one
CID 10613541
1-[2-oxo-2-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)ethyl]piperidin-2-one
CID 170507477
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
9-benzyl-4-phenyl-1,9-diazaspiro[5.5]undec-4-en-2-one
CID 164682604

Frequently Asked Questions

What is the IUPAC name of 1'-benzyl-2-phenylspiro[4H-thieno[2,3-c]pyran-7,4'-piperidine]-5-one?
The IUPAC name of 1'-benzyl-2-phenylspiro[4H-thieno[2,3-c]pyran-7,4'-piperidine]-5-one (CID 71489722) is 1'-benzyl-2-phenylspiro[4H-thieno[2,3-c]pyran-7,4'-piperidine]-5-one.
What is the SMILES notation for 1'-benzyl-2-phenylspiro[4H-thieno[2,3-c]pyran-7,4'-piperidine]-5-one?
The canonical SMILES for 1'-benzyl-2-phenylspiro[4H-thieno[2,3-c]pyran-7,4'-piperidine]-5-one is O=C1Cc2cc(-c3ccccc3)sc2C2(CCN(Cc3ccccc3)CC2)O1.
What is the InChIKey of 1'-benzyl-2-phenylspiro[4H-thieno[2,3-c]pyran-7,4'-piperidine]-5-one?
The InChIKey is ZYYIIINQXUTCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2S/c26-22-16-20-15-21(19-9-5-2-6-10-19)28-23(20)24(27-22)11-13-25(14-12-24)17-18-7-3-1-4-8-18/h1-10,15H,11-14,16-17H2.
What are the key properties of 1'-benzyl-2-phenylspiro[4H-thieno[2,3-c]pyran-7,4'-piperidine]-5-one?
1'-benzyl-2-phenylspiro[4H-thieno[2,3-c]pyran-7,4'-piperidine]-5-one has a molecular weight of 389.52 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzyl-2-phenylspiro[4H-thieno[2,3-c]pyran-7,4'-piperidine]-5-one is sourced from PubChem (CID 71489722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).