1'-benzyl-6-[3-(dimethylamino)phenoxy]-5-methoxyspiro[1H-indole-3,4'-piperidine]-2-one

C28H31N3O3 — CID 134808860

IUPAC1'-benzyl-6-[3-(dimethylamino)phenoxy]-5-methoxyspiro[1H-indole-3,4'-piperidine]-2-one
SMILESCOc1cc2c(cc1Oc1cccc(N(C)C)c1)NC(=O)C21CCN(Cc2ccccc2)CC1
InChIInChI=1S/C28H31N3O3/c1-30(2)21-10-7-11-22(16-21)34-26-18-24-23(17-25(26)33-3)28(27(32)29-24)12-14-31(15-13-28)19-20-8-5-4-6-9-20/h4-11,16-18H,12-15,19H2,1-3H3,(H,29,32)
InChIKeyPCUPFVXRQVLYHP-UHFFFAOYSA-N
MW457.57 g/mol
LogP5.04
Rot. Bonds6

About 1'-benzyl-6-[3-(dimethylamino)phenoxy]-5-methoxyspiro[1H-indole-3,4'-piperidine]-2-one

1'-benzyl-6-[3-(dimethylamino)phenoxy]-5-methoxyspiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 134808860) has the molecular formula C28H31N3O3 and a molecular weight of 457.57 g/mol. Its IUPAC name is 1'-benzyl-6-[3-(dimethylamino)phenoxy]-5-methoxyspiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-benzyl-6-[3-(dimethylamino)phenoxy]-5-methoxyspiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID134808860
Molecular FormulaC28H31N3O3
Molecular Weight457.57 g/mol
Exact Mass457.24
IUPAC Name1'-benzyl-6-[3-(dimethylamino)phenoxy]-5-methoxyspiro[1H-indole-3,4'-piperidine]-2-one
SMILESCOc1cc2c(cc1Oc1cccc(N(C)C)c1)NC(=O)C21CCN(Cc2ccccc2)CC1
InChIInChI=1S/C28H31N3O3/c1-30(2)21-10-7-11-22(16-21)34-26-18-24-23(17-25(26)33-3)28(27(32)29-24)12-14-31(15-13-28)19-20-8-5-4-6-9-20/h4-11,16-18H,12-15,19H2,1-3H3,(H,29,32)
InChIKeyPCUPFVXRQVLYHP-UHFFFAOYSA-N
XLogP5.04
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.57
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1'-benzyl-6-[3-(dimethylamino)phenoxy]-5-methoxyspiro[1H-indole-3,4'-piperidine]-2-one with MolForge

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Related Compounds

5-methoxy-1'-(3-methylbutyl)-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one
CID 134809490
5-methoxy-1'-(2-methylpropanoyl)-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one
CID 134806475
1'-[(2-hydroxyphenyl)methyl]-5-methoxy-6-(pyridin-4-ylmethoxy)spiro[1H-indole-3,4'-piperidine]-2-one
CID 134805477
1'-benzyl-5-chlorospiro[1H-indole-3,4'-piperidine]-2-one
CID 86180111
5-methoxy-1'-pyridin-2-yl-6-(pyridin-4-ylmethoxy)spiro[1H-indole-3,4'-piperidine]-2-one
CID 134809813
1'-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 133058584
1'-[(3-methoxyphenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one
CID 134795243
1'-[(5-fluoro-2-methoxyphenyl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 56884415
4-[1-benzyl-4-(3-methoxyphenyl)piperidin-4-yl]phenol
CID 22729919
1-benzyl-4'-methoxyspiro[piperidine-4,9'-xanthene];hydrochloride
CID 70578492
3-(4-benzylpiperazin-1-yl)-N,N-dimethylaniline
CID 110454866
1-N'-(3,4-dimethoxyphenyl)-1-N'-[2-[3-(dimethylamino)phenoxy]phenyl]cyclopropane-1,1-dicarboxamide
CID 176908879

Frequently Asked Questions

What is the IUPAC name of 1'-benzyl-6-[3-(dimethylamino)phenoxy]-5-methoxyspiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-benzyl-6-[3-(dimethylamino)phenoxy]-5-methoxyspiro[1H-indole-3,4'-piperidine]-2-one (CID 134808860) is 1'-benzyl-6-[3-(dimethylamino)phenoxy]-5-methoxyspiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-benzyl-6-[3-(dimethylamino)phenoxy]-5-methoxyspiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-benzyl-6-[3-(dimethylamino)phenoxy]-5-methoxyspiro[1H-indole-3,4'-piperidine]-2-one is COc1cc2c(cc1Oc1cccc(N(C)C)c1)NC(=O)C21CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1'-benzyl-6-[3-(dimethylamino)phenoxy]-5-methoxyspiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is PCUPFVXRQVLYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O3/c1-30(2)21-10-7-11-22(16-21)34-26-18-24-23(17-25(26)33-3)28(27(32)29-24)12-14-31(15-13-28)19-20-8-5-4-6-9-20/h4-11,16-18H,12-15,19H2,1-3H3,(H,29,32).
What are the key properties of 1'-benzyl-6-[3-(dimethylamino)phenoxy]-5-methoxyspiro[1H-indole-3,4'-piperidine]-2-one?
1'-benzyl-6-[3-(dimethylamino)phenoxy]-5-methoxyspiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 457.57 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzyl-6-[3-(dimethylamino)phenoxy]-5-methoxyspiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 134808860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).