5-chloro-1'-[2-[[5-(oxetan-3-yl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one

C27H29ClN2O4 — CID 170132484

IUPAC5-chloro-1'-[2-[[5-(oxetan-3-yl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESO=C1CCc2cc(OCCN3CCC4(CC3)C(=O)Nc3ccc(Cl)cc34)ccc2C1C1COC1
InChIInChI=1S/C27H29ClN2O4/c28-19-2-5-23-22(14-19)27(26(32)29-23)7-9-30(10-8-27)11-12-34-20-3-4-21-17(13-20)1-6-24(31)25(21)18-15-33-16-18/h2-5,13-14,18,25H,1,6-12,15-16H2,(H,29,32)
InChIKeyMGBIBCIIOOMJAZ-UHFFFAOYSA-N
MW480.99 g/mol
LogP3.95
Rot. Bonds5

About 5-chloro-1'-[2-[[5-(oxetan-3-yl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one

5-chloro-1'-[2-[[5-(oxetan-3-yl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 170132484) has the molecular formula C27H29ClN2O4 and a molecular weight of 480.99 g/mol. Its IUPAC name is 5-chloro-1'-[2-[[5-(oxetan-3-yl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name5-chloro-1'-[2-[[5-(oxetan-3-yl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID170132484
Molecular FormulaC27H29ClN2O4
Molecular Weight480.99 g/mol
Exact Mass480.18
IUPAC Name5-chloro-1'-[2-[[5-(oxetan-3-yl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESO=C1CCc2cc(OCCN3CCC4(CC3)C(=O)Nc3ccc(Cl)cc34)ccc2C1C1COC1
InChIInChI=1S/C27H29ClN2O4/c28-19-2-5-23-22(14-19)27(26(32)29-23)7-9-30(10-8-27)11-12-34-20-3-4-21-17(13-20)1-6-24(31)25(21)18-15-33-16-18/h2-5,13-14,18,25H,1,6-12,15-16H2,(H,29,32)
InChIKeyMGBIBCIIOOMJAZ-UHFFFAOYSA-N
XLogP3.95
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.99
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-1'-[2-[(1-methyl-2-methylidene-3,4-dihydroquinolin-6-yl)oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 170118776
5-chloro-1'-[2-[(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168997481
1'-[2-[4-(azetidine-1-carbonyl)-3-fluorophenoxy]ethyl]-5-chlorospiro[1H-indole-3,4'-piperidine]-2-one
CID 168997877
5-chloro-1'-[2-[[1-(3-hydroxycyclobutyl)-2-oxo-8-(trifluoromethyl)-3,4-dihydroquinolin-6-yl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168996960
4-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]-2-(difluoromethyl)benzoic acid
CID 168998378
5-chloro-1'-[2-[2-(2-hydroxyethyl)pyrimidin-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168997807
5-chloro-1'-[2-[3-(difluoromethyl)-4-methylsulfonylphenoxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168997251
5-chloro-1'-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168996371
butane;N-[5-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]-2-methylphenyl]acetamide
CID 168997734
5-chloro-1'-[2-[3,5-difluoro-4-(1-fluoroethyl)phenoxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168997815
5-chloro-1'-[2-[4-(3-methylsulfonylpropylsulfonyl)phenoxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168996460
5-chloro-1'-[2-[2-(3-hydroxy-3-methylcyclobutyl)pyrimidin-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168996612

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1'-[2-[[5-(oxetan-3-yl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 5-chloro-1'-[2-[[5-(oxetan-3-yl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one (CID 170132484) is 5-chloro-1'-[2-[[5-(oxetan-3-yl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 5-chloro-1'-[2-[[5-(oxetan-3-yl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 5-chloro-1'-[2-[[5-(oxetan-3-yl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one is O=C1CCc2cc(OCCN3CCC4(CC3)C(=O)Nc3ccc(Cl)cc34)ccc2C1C1COC1.
What is the InChIKey of 5-chloro-1'-[2-[[5-(oxetan-3-yl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is MGBIBCIIOOMJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN2O4/c28-19-2-5-23-22(14-19)27(26(32)29-23)7-9-30(10-8-27)11-12-34-20-3-4-21-17(13-20)1-6-24(31)25(21)18-15-33-16-18/h2-5,13-14,18,25H,1,6-12,15-16H2,(H,29,32).
What are the key properties of 5-chloro-1'-[2-[[5-(oxetan-3-yl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one?
5-chloro-1'-[2-[[5-(oxetan-3-yl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 480.99 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1'-[2-[[5-(oxetan-3-yl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 170132484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).