5-chloro-1'-[2-[4-(4-methyl-1,2-dihydropyridin-5-yl)phenoxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one

C26H28ClN3O2 — CID 170068892

IUPAC5-chloro-1'-[2-[4-(4-methyl-1,2-dihydropyridin-5-yl)phenoxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESCC1=CCNC=C1c1ccc(OCCN2CCC3(CC2)C(=O)Nc2ccc(Cl)cc23)cc1
InChIInChI=1S/C26H28ClN3O2/c1-18-8-11-28-17-22(18)19-2-5-21(6-3-19)32-15-14-30-12-9-26(10-13-30)23-16-20(27)4-7-24(23)29-25(26)31/h2-8,16-17,28H,9-15H2,1H3,(H,29,31)
InChIKeySJKLFWDTKLZPMQ-UHFFFAOYSA-N
MW449.98 g/mol
LogP4.60
Rot. Bonds5

About 5-chloro-1'-[2-[4-(4-methyl-1,2-dihydropyridin-5-yl)phenoxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one

5-chloro-1'-[2-[4-(4-methyl-1,2-dihydropyridin-5-yl)phenoxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 170068892) has the molecular formula C26H28ClN3O2 and a molecular weight of 449.98 g/mol. Its IUPAC name is 5-chloro-1'-[2-[4-(4-methyl-1,2-dihydropyridin-5-yl)phenoxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name5-chloro-1'-[2-[4-(4-methyl-1,2-dihydropyridin-5-yl)phenoxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID170068892
Molecular FormulaC26H28ClN3O2
Molecular Weight449.98 g/mol
Exact Mass449.19
IUPAC Name5-chloro-1'-[2-[4-(4-methyl-1,2-dihydropyridin-5-yl)phenoxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESCC1=CCNC=C1c1ccc(OCCN2CCC3(CC2)C(=O)Nc2ccc(Cl)cc23)cc1
InChIInChI=1S/C26H28ClN3O2/c1-18-8-11-28-17-22(18)19-2-5-21(6-3-19)32-15-14-30-12-9-26(10-13-30)23-16-20(27)4-7-24(23)29-25(26)31/h2-8,16-17,28H,9-15H2,1H3,(H,29,31)
InChIKeySJKLFWDTKLZPMQ-UHFFFAOYSA-N
XLogP4.60
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.98
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-1'-[2-[4-(3-methylsulfonylpropylsulfonyl)phenoxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168996460
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-[3,5-difluoro-4-(1-fluoroethyl)phenoxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168997815
N-[2-[4-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]phenyl]sulfonylethyl]-N-methylformamide
CID 170068234
N-[4-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]phenyl]-N-propylmethanesulfonamide
CID 170118806
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-[(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168997481
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
4-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]-2-(difluoromethyl)benzoic acid
CID 168998378
1'-[2-[4-(azetidine-1-carbonyl)-3-fluorophenoxy]ethyl]-5-chlorospiro[1H-indole-3,4'-piperidine]-2-one
CID 168997877

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1'-[2-[4-(4-methyl-1,2-dihydropyridin-5-yl)phenoxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 5-chloro-1'-[2-[4-(4-methyl-1,2-dihydropyridin-5-yl)phenoxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one (CID 170068892) is 5-chloro-1'-[2-[4-(4-methyl-1,2-dihydropyridin-5-yl)phenoxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 5-chloro-1'-[2-[4-(4-methyl-1,2-dihydropyridin-5-yl)phenoxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 5-chloro-1'-[2-[4-(4-methyl-1,2-dihydropyridin-5-yl)phenoxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one is CC1=CCNC=C1c1ccc(OCCN2CCC3(CC2)C(=O)Nc2ccc(Cl)cc23)cc1.
What is the InChIKey of 5-chloro-1'-[2-[4-(4-methyl-1,2-dihydropyridin-5-yl)phenoxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is SJKLFWDTKLZPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN3O2/c1-18-8-11-28-17-22(18)19-2-5-21(6-3-19)32-15-14-30-12-9-26(10-13-30)23-16-20(27)4-7-24(23)29-25(26)31/h2-8,16-17,28H,9-15H2,1H3,(H,29,31).
What are the key properties of 5-chloro-1'-[2-[4-(4-methyl-1,2-dihydropyridin-5-yl)phenoxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one?
5-chloro-1'-[2-[4-(4-methyl-1,2-dihydropyridin-5-yl)phenoxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 449.98 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1'-[2-[4-(4-methyl-1,2-dihydropyridin-5-yl)phenoxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 170068892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).