1'-benzylspiro[7,8-dihydro-3H-furo[3,4-g]isochromene-5,4'-piperidine]-1-one

C22H23NO3 — CID 170172777

IUPAC1'-benzylspiro[7,8-dihydro-3H-furo[3,4-g]isochromene-5,4'-piperidine]-1-one
SMILESO=C1OCc2cc3c(cc21)CCOC31CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H23NO3/c24-21-19-12-17-6-11-26-22(20(17)13-18(19)15-25-21)7-9-23(10-8-22)14-16-4-2-1-3-5-16/h1-5,12-13H,6-11,14-15H2
InChIKeyNDBSXIFMXYBKID-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.42
Rot. Bonds2

About 1'-benzylspiro[7,8-dihydro-3H-furo[3,4-g]isochromene-5,4'-piperidine]-1-one

1'-benzylspiro[7,8-dihydro-3H-furo[3,4-g]isochromene-5,4'-piperidine]-1-one (PubChem CID 170172777) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1'-benzylspiro[7,8-dihydro-3H-furo[3,4-g]isochromene-5,4'-piperidine]-1-one.

Molecular Properties

Compound Name1'-benzylspiro[7,8-dihydro-3H-furo[3,4-g]isochromene-5,4'-piperidine]-1-one
PubChem CID170172777
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Name1'-benzylspiro[7,8-dihydro-3H-furo[3,4-g]isochromene-5,4'-piperidine]-1-one
SMILESO=C1OCc2cc3c(cc21)CCOC31CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H23NO3/c24-21-19-12-17-6-11-26-22(20(17)13-18(19)15-25-21)7-9-23(10-8-22)14-16-4-2-1-3-5-16/h1-5,12-13H,6-11,14-15H2
InChIKeyNDBSXIFMXYBKID-UHFFFAOYSA-N
XLogP3.42
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1'-benzylspiro[7,8-dihydro-3H-furo[3,4-g]isochromene-5,4'-piperidine]-1-one with MolForge

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Related Compounds

1'-benzyl-1-methylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
CID 25060565
1'-benzyl-1-phenylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
CID 25060807
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
3,8-dibenzyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 19814309
5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]pyridine-2-carboxylic acid
CID 169139909
1'-benzyl-7-chlorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-6-amine
CID 68902320
1'-benzylspiro[3H-indene-2,4'-piperidine]-1-one
CID 10613541
3-[(5-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-1-oxo-2-phenylisoquinoline-4-carboxylic acid
CID 67493231
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
1'-benzyl-2-phenylspiro[4H-thieno[2,3-c]pyran-7,4'-piperidine]-5-one
CID 71489722
3-benzyl-6,6-dimethyl-1,3-oxazinane
CID 129106291

Frequently Asked Questions

What is the IUPAC name of 1'-benzylspiro[7,8-dihydro-3H-furo[3,4-g]isochromene-5,4'-piperidine]-1-one?
The IUPAC name of 1'-benzylspiro[7,8-dihydro-3H-furo[3,4-g]isochromene-5,4'-piperidine]-1-one (CID 170172777) is 1'-benzylspiro[7,8-dihydro-3H-furo[3,4-g]isochromene-5,4'-piperidine]-1-one.
What is the SMILES notation for 1'-benzylspiro[7,8-dihydro-3H-furo[3,4-g]isochromene-5,4'-piperidine]-1-one?
The canonical SMILES for 1'-benzylspiro[7,8-dihydro-3H-furo[3,4-g]isochromene-5,4'-piperidine]-1-one is O=C1OCc2cc3c(cc21)CCOC31CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1'-benzylspiro[7,8-dihydro-3H-furo[3,4-g]isochromene-5,4'-piperidine]-1-one?
The InChIKey is NDBSXIFMXYBKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c24-21-19-12-17-6-11-26-22(20(17)13-18(19)15-25-21)7-9-23(10-8-22)14-16-4-2-1-3-5-16/h1-5,12-13H,6-11,14-15H2.
What are the key properties of 1'-benzylspiro[7,8-dihydro-3H-furo[3,4-g]isochromene-5,4'-piperidine]-1-one?
1'-benzylspiro[7,8-dihydro-3H-furo[3,4-g]isochromene-5,4'-piperidine]-1-one has a molecular weight of 349.43 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzylspiro[7,8-dihydro-3H-furo[3,4-g]isochromene-5,4'-piperidine]-1-one is sourced from PubChem (CID 170172777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).