1'-[(2-hydroxyphenyl)methyl]-5-methoxy-6-(pyridin-4-ylmethoxy)spiro[1H-indole-3,4'-piperidine]-2-one

C26H27N3O4 — CID 134805477

IUPAC1'-[(2-hydroxyphenyl)methyl]-5-methoxy-6-(pyridin-4-ylmethoxy)spiro[1H-indole-3,4'-piperidine]-2-one
SMILESCOc1cc2c(cc1OCc1ccncc1)NC(=O)C21CCN(Cc2ccccc2O)CC1
InChIInChI=1S/C26H27N3O4/c1-32-23-14-20-21(15-24(23)33-17-18-6-10-27-11-7-18)28-25(31)26(20)8-12-29(13-9-26)16-19-4-2-3-5-22(19)30/h2-7,10-11,14-15,30H,8-9,12-13,16-17H2,1H3,(H,28,31)
InChIKeyFAEVDTBXACJYKE-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.86
Rot. Bonds6

About 1'-[(2-hydroxyphenyl)methyl]-5-methoxy-6-(pyridin-4-ylmethoxy)spiro[1H-indole-3,4'-piperidine]-2-one

1'-[(2-hydroxyphenyl)methyl]-5-methoxy-6-(pyridin-4-ylmethoxy)spiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 134805477) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is 1'-[(2-hydroxyphenyl)methyl]-5-methoxy-6-(pyridin-4-ylmethoxy)spiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[(2-hydroxyphenyl)methyl]-5-methoxy-6-(pyridin-4-ylmethoxy)spiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID134805477
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC Name1'-[(2-hydroxyphenyl)methyl]-5-methoxy-6-(pyridin-4-ylmethoxy)spiro[1H-indole-3,4'-piperidine]-2-one
SMILESCOc1cc2c(cc1OCc1ccncc1)NC(=O)C21CCN(Cc2ccccc2O)CC1
InChIInChI=1S/C26H27N3O4/c1-32-23-14-20-21(15-24(23)33-17-18-6-10-27-11-7-18)28-25(31)26(20)8-12-29(13-9-26)16-19-4-2-3-5-22(19)30/h2-7,10-11,14-15,30H,8-9,12-13,16-17H2,1H3,(H,28,31)
InChIKeyFAEVDTBXACJYKE-UHFFFAOYSA-N
XLogP3.86
TPSA83.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-1'-pyridin-2-yl-6-(pyridin-4-ylmethoxy)spiro[1H-indole-3,4'-piperidine]-2-one
CID 134809813
1'-[(5-fluoro-2-methoxyphenyl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 56884415
5-methoxy-1'-(3-methylbutyl)-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one
CID 134809490
4-[[2-(piperidin-1-ylmethyl)phenoxy]methyl]pyridine
CID 167786530
1'-benzyl-5-chlorospiro[1H-indole-3,4'-piperidine]-2-one
CID 86180111
1-[(3,4-dimethoxyphenyl)methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine;oxalic acid
CID 2900377
1-[(2-amino-3-pyridinyl)methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid
CID 70757151
4-[[4-[(2-bromophenyl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol
CID 1131780
[3-ethoxy-4-(pyridin-4-ylmethoxy)phenyl]-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 34986251
1'-(pyridin-2-ylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 97375615
1'-[[4-(2-hydroxyethoxy)phenyl]methyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 74251453
1-[(2-fluorophenyl)methyl]-8-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 42378887

Frequently Asked Questions

What is the IUPAC name of 1'-[(2-hydroxyphenyl)methyl]-5-methoxy-6-(pyridin-4-ylmethoxy)spiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[(2-hydroxyphenyl)methyl]-5-methoxy-6-(pyridin-4-ylmethoxy)spiro[1H-indole-3,4'-piperidine]-2-one (CID 134805477) is 1'-[(2-hydroxyphenyl)methyl]-5-methoxy-6-(pyridin-4-ylmethoxy)spiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[(2-hydroxyphenyl)methyl]-5-methoxy-6-(pyridin-4-ylmethoxy)spiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[(2-hydroxyphenyl)methyl]-5-methoxy-6-(pyridin-4-ylmethoxy)spiro[1H-indole-3,4'-piperidine]-2-one is COc1cc2c(cc1OCc1ccncc1)NC(=O)C21CCN(Cc2ccccc2O)CC1.
What is the InChIKey of 1'-[(2-hydroxyphenyl)methyl]-5-methoxy-6-(pyridin-4-ylmethoxy)spiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is FAEVDTBXACJYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-32-23-14-20-21(15-24(23)33-17-18-6-10-27-11-7-18)28-25(31)26(20)8-12-29(13-9-26)16-19-4-2-3-5-22(19)30/h2-7,10-11,14-15,30H,8-9,12-13,16-17H2,1H3,(H,28,31).
What are the key properties of 1'-[(2-hydroxyphenyl)methyl]-5-methoxy-6-(pyridin-4-ylmethoxy)spiro[1H-indole-3,4'-piperidine]-2-one?
1'-[(2-hydroxyphenyl)methyl]-5-methoxy-6-(pyridin-4-ylmethoxy)spiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 445.52 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(2-hydroxyphenyl)methyl]-5-methoxy-6-(pyridin-4-ylmethoxy)spiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 134805477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).