1-benzyl-6'-phenylspiro[piperidine-4,3'-thieno[3,4-c]furan]-1'-one

C23H21NO2S — CID 71489717

IUPAC1-benzyl-6'-phenylspiro[piperidine-4,3'-thieno[3,4-c]furan]-1'-one
SMILESO=C1OC2(CCN(Cc3ccccc3)CC2)c2csc(-c3ccccc3)c21
InChIInChI=1S/C23H21NO2S/c25-22-20-19(16-27-21(20)18-9-5-2-6-10-18)23(26-22)11-13-24(14-12-23)15-17-7-3-1-4-8-17/h1-10,16H,11-15H2
InChIKeyMGBUMKVZJQLVHD-UHFFFAOYSA-N
MW375.49 g/mol
LogP5.08
Rot. Bonds3

About 1-benzyl-6'-phenylspiro[piperidine-4,3'-thieno[3,4-c]furan]-1'-one

1-benzyl-6'-phenylspiro[piperidine-4,3'-thieno[3,4-c]furan]-1'-one (PubChem CID 71489717) has the molecular formula C23H21NO2S and a molecular weight of 375.49 g/mol. Its IUPAC name is 1-benzyl-6'-phenylspiro[piperidine-4,3'-thieno[3,4-c]furan]-1'-one.

Molecular Properties

Compound Name1-benzyl-6'-phenylspiro[piperidine-4,3'-thieno[3,4-c]furan]-1'-one
PubChem CID71489717
Molecular FormulaC23H21NO2S
Molecular Weight375.49 g/mol
Exact Mass375.13
IUPAC Name1-benzyl-6'-phenylspiro[piperidine-4,3'-thieno[3,4-c]furan]-1'-one
SMILESO=C1OC2(CCN(Cc3ccccc3)CC2)c2csc(-c3ccccc3)c21
InChIInChI=1S/C23H21NO2S/c25-22-20-19(16-27-21(20)18-9-5-2-6-10-18)23(26-22)11-13-24(14-12-23)15-17-7-3-1-4-8-17/h1-10,16H,11-15H2
InChIKeyMGBUMKVZJQLVHD-UHFFFAOYSA-N
XLogP5.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.49
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-benzyl-4'-(4-cyanophenyl)-1'-oxospiro[piperidine-4,3'-thieno[3,4-c]furan]-6'-yl]benzonitrile
CID 71583297
1'-benzyl-5-ethylspiro[2-benzofuran-3,4'-piperidine]-1-one;hydrochloride
CID 22660725
8-benzyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 19814236
1-[4-(1'-benzyl-6-methoxyspiro[6,7-dihydrothieno[3,4-c]pyran-4,4'-piperidine]-1-yl)phenyl]ethanone
CID 56652225
1'-benzyl-2-phenylspiro[4H-thieno[2,3-c]pyran-7,4'-piperidine]-5-one
CID 71489722
3,8-dibenzyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 19814309
8-benzyl-4-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
CID 12832700
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
2-benzyl-6-oxa-2,8-diazaspiro[4.5]decan-7-one
CID 165471452
ethyl 2-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)acetate
CID 25167286
1'-[(3-methoxyphenyl)methyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
CID 155902039

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6'-phenylspiro[piperidine-4,3'-thieno[3,4-c]furan]-1'-one?
The IUPAC name of 1-benzyl-6'-phenylspiro[piperidine-4,3'-thieno[3,4-c]furan]-1'-one (CID 71489717) is 1-benzyl-6'-phenylspiro[piperidine-4,3'-thieno[3,4-c]furan]-1'-one.
What is the SMILES notation for 1-benzyl-6'-phenylspiro[piperidine-4,3'-thieno[3,4-c]furan]-1'-one?
The canonical SMILES for 1-benzyl-6'-phenylspiro[piperidine-4,3'-thieno[3,4-c]furan]-1'-one is O=C1OC2(CCN(Cc3ccccc3)CC2)c2csc(-c3ccccc3)c21.
What is the InChIKey of 1-benzyl-6'-phenylspiro[piperidine-4,3'-thieno[3,4-c]furan]-1'-one?
The InChIKey is MGBUMKVZJQLVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2S/c25-22-20-19(16-27-21(20)18-9-5-2-6-10-18)23(26-22)11-13-24(14-12-23)15-17-7-3-1-4-8-17/h1-10,16H,11-15H2.
What are the key properties of 1-benzyl-6'-phenylspiro[piperidine-4,3'-thieno[3,4-c]furan]-1'-one?
1-benzyl-6'-phenylspiro[piperidine-4,3'-thieno[3,4-c]furan]-1'-one has a molecular weight of 375.49 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6'-phenylspiro[piperidine-4,3'-thieno[3,4-c]furan]-1'-one is sourced from PubChem (CID 71489717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).