1'-benzyl-5,6-dimethoxyspiro[1,2-dihydroindene-3,3'-piperidine]-2',6'-dione

C22H23NO4 — CID 102589038

IUPAC1'-benzyl-5,6-dimethoxyspiro[1,2-dihydroindene-3,3'-piperidine]-2',6'-dione
SMILESCOc1cc2c(cc1OC)C1(CCC(=O)N(Cc3ccccc3)C1=O)CC2
InChIInChI=1S/C22H23NO4/c1-26-18-12-16-8-10-22(17(16)13-19(18)27-2)11-9-20(24)23(21(22)25)14-15-6-4-3-5-7-15/h3-7,12-13H,8-11,14H2,1-2H3
InChIKeyRWDYZURYYAILKS-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.24
Rot. Bonds4

About 1'-benzyl-5,6-dimethoxyspiro[1,2-dihydroindene-3,3'-piperidine]-2',6'-dione

1'-benzyl-5,6-dimethoxyspiro[1,2-dihydroindene-3,3'-piperidine]-2',6'-dione (PubChem CID 102589038) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1'-benzyl-5,6-dimethoxyspiro[1,2-dihydroindene-3,3'-piperidine]-2',6'-dione.

Molecular Properties

Compound Name1'-benzyl-5,6-dimethoxyspiro[1,2-dihydroindene-3,3'-piperidine]-2',6'-dione
PubChem CID102589038
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name1'-benzyl-5,6-dimethoxyspiro[1,2-dihydroindene-3,3'-piperidine]-2',6'-dione
SMILESCOc1cc2c(cc1OC)C1(CCC(=O)N(Cc3ccccc3)C1=O)CC2
InChIInChI=1S/C22H23NO4/c1-26-18-12-16-8-10-22(17(16)13-19(18)27-2)11-9-20(24)23(21(22)25)14-15-6-4-3-5-7-15/h3-7,12-13H,8-11,14H2,1-2H3
InChIKeyRWDYZURYYAILKS-UHFFFAOYSA-N
XLogP3.24
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1'-benzyl-5,6-dimethoxyspiro[1,2-dihydroindene-3,3'-piperidine]-2',6'-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-8,9-dimethoxy-10b-methyl-5-(phenylmethoxymethyl)-1,2,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-3-one
CID 11545402
2-benzyl-5,6-dimethoxyisoindole-1,3-dione
CID 91665603
8,9-dimethoxy-10b-methyl-1,2,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-3-one
CID 15834177
(3R)-1-benzyl-3-(3,4-dimethoxyanilino)pyrrolidine-2,5-dione
CID 51613691
(10aR)-2-benzyl-7,8-dimethoxy-3-sulfanylidene-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one
CID 7349876
(3S,11bS)-11b-benzyl-9,10-dimethoxy-2-methyl-3-propan-2-yl-6,7-dihydro-3H-pyrazino[2,1-a]isoquinoline-1,4-dione
CID 101134435
3,3-dimethyl-1-(2-phenylethyl)piperidine-2,6-dione
CID 10514518
N-benzyl-1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 46247157
1'-[(4-methoxyphenyl)methyl]spiro[cyclohexane-4,3'-pyrrolo[2,3-b]pyridine]-1,2'-dione
CID 169258334
(5R,9R)-1-benzyl-9-(3,4,5-trimethoxyphenyl)-1,7-diazaspiro[4.4]nonane-2,6-dione
CID 102372501
(5R,9S)-1-benzyl-9-(3,4,5-trimethoxyphenyl)-1,7-diazaspiro[4.4]nonane-2,6-dione
CID 102372500
(1S)-2-benzyl-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline
CID 25389894

Frequently Asked Questions

What is the IUPAC name of 1'-benzyl-5,6-dimethoxyspiro[1,2-dihydroindene-3,3'-piperidine]-2',6'-dione?
The IUPAC name of 1'-benzyl-5,6-dimethoxyspiro[1,2-dihydroindene-3,3'-piperidine]-2',6'-dione (CID 102589038) is 1'-benzyl-5,6-dimethoxyspiro[1,2-dihydroindene-3,3'-piperidine]-2',6'-dione.
What is the SMILES notation for 1'-benzyl-5,6-dimethoxyspiro[1,2-dihydroindene-3,3'-piperidine]-2',6'-dione?
The canonical SMILES for 1'-benzyl-5,6-dimethoxyspiro[1,2-dihydroindene-3,3'-piperidine]-2',6'-dione is COc1cc2c(cc1OC)C1(CCC(=O)N(Cc3ccccc3)C1=O)CC2.
What is the InChIKey of 1'-benzyl-5,6-dimethoxyspiro[1,2-dihydroindene-3,3'-piperidine]-2',6'-dione?
The InChIKey is RWDYZURYYAILKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-26-18-12-16-8-10-22(17(16)13-19(18)27-2)11-9-20(24)23(21(22)25)14-15-6-4-3-5-7-15/h3-7,12-13H,8-11,14H2,1-2H3.
What are the key properties of 1'-benzyl-5,6-dimethoxyspiro[1,2-dihydroindene-3,3'-piperidine]-2',6'-dione?
1'-benzyl-5,6-dimethoxyspiro[1,2-dihydroindene-3,3'-piperidine]-2',6'-dione has a molecular weight of 365.43 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzyl-5,6-dimethoxyspiro[1,2-dihydroindene-3,3'-piperidine]-2',6'-dione is sourced from PubChem (CID 102589038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).