1-[5-methoxy-1'-[(4-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-3-methylbutan-1-one

C26H34N2O2 — CID 23963182

IUPAC1-[5-methoxy-1'-[(4-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-3-methylbutan-1-one
SMILESCOc1ccc2c(c1)C1(CCN(Cc3ccc(C)cc3)CC1)CN2C(=O)CC(C)C
InChIInChI=1S/C26H34N2O2/c1-19(2)15-25(29)28-18-26(23-16-22(30-4)9-10-24(23)28)11-13-27(14-12-26)17-21-7-5-20(3)6-8-21/h5-10,16,19H,11-15,17-18H2,1-4H3
InChIKeyDJGDERVUVPDCGV-UHFFFAOYSA-N
MW406.57 g/mol
LogP4.93
Rot. Bonds5

About 1-[5-methoxy-1'-[(4-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-3-methylbutan-1-one

1-[5-methoxy-1'-[(4-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-3-methylbutan-1-one (PubChem CID 23963182) has the molecular formula C26H34N2O2 and a molecular weight of 406.57 g/mol. Its IUPAC name is 1-[5-methoxy-1'-[(4-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[5-methoxy-1'-[(4-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-3-methylbutan-1-one
PubChem CID23963182
Molecular FormulaC26H34N2O2
Molecular Weight406.57 g/mol
Exact Mass406.26
IUPAC Name1-[5-methoxy-1'-[(4-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-3-methylbutan-1-one
SMILESCOc1ccc2c(c1)C1(CCN(Cc3ccc(C)cc3)CC1)CN2C(=O)CC(C)C
InChIInChI=1S/C26H34N2O2/c1-19(2)15-25(29)28-18-26(23-16-22(30-4)9-10-24(23)28)11-13-27(14-12-26)17-21-7-5-20(3)6-8-21/h5-10,16,19H,11-15,17-18H2,1-4H3
InChIKeyDJGDERVUVPDCGV-UHFFFAOYSA-N
XLogP4.93
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methoxy-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)-3-methylbutan-1-one
CID 23991716
3-methyl-1-[5-methyl-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]butan-1-one
CID 23826004
1'-[(4-cyanophenyl)methyl]-5-methoxy-N-(4-methylphenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 25037305
(3,5-dichlorophenyl)-[1'-[(3,4-dichlorophenyl)methyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone
CID 23827326
[1'-(cyclopropylmethyl)-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]-(4-methylphenyl)methanone
CID 23933633
methyl 4-[[5-fluoro-1-[(4-methylphenyl)carbamoyl]spiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]benzoate
CID 23936369
1-(1'-cyclopropyl-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2-(4-methoxyphenyl)ethanone
CID 23822619
1'-[(3,5-dimethylphenyl)methyl]-5-fluoro-N-(4-methoxyphenyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23736691
[1'-[(3-chlorophenyl)methyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]-naphthalen-2-ylmethanone
CID 23963856
1-[1'-[(3-chlorophenyl)methyl]-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl]-3-phenylpropan-1-one
CID 23770953
4-[[1-(cyclopentanecarbonyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1'-yl]methyl]benzonitrile
CID 23849632
(3,5-dimethyl-1,2-oxazol-4-yl)-[5-fluoro-1'-[(4-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone
CID 23935569

Frequently Asked Questions

What is the IUPAC name of 1-[5-methoxy-1'-[(4-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[5-methoxy-1'-[(4-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-3-methylbutan-1-one (CID 23963182) is 1-[5-methoxy-1'-[(4-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[5-methoxy-1'-[(4-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[5-methoxy-1'-[(4-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-3-methylbutan-1-one is COc1ccc2c(c1)C1(CCN(Cc3ccc(C)cc3)CC1)CN2C(=O)CC(C)C.
What is the InChIKey of 1-[5-methoxy-1'-[(4-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-3-methylbutan-1-one?
The InChIKey is DJGDERVUVPDCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O2/c1-19(2)15-25(29)28-18-26(23-16-22(30-4)9-10-24(23)28)11-13-27(14-12-26)17-21-7-5-20(3)6-8-21/h5-10,16,19H,11-15,17-18H2,1-4H3.
What are the key properties of 1-[5-methoxy-1'-[(4-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-3-methylbutan-1-one?
1-[5-methoxy-1'-[(4-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-3-methylbutan-1-one has a molecular weight of 406.57 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methoxy-1'-[(4-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 23963182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).