1'-[1-(1,3-benzothiazol-5-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one

C21H21N3OS — CID 146415370

IUPAC1'-[1-(1,3-benzothiazol-5-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESCC(c1ccc2scnc2c1)N1CCC2(CC1)C(=O)Nc1ccccc12
InChIInChI=1S/C21H21N3OS/c1-14(15-6-7-19-18(12-15)22-13-26-19)24-10-8-21(9-11-24)16-4-2-3-5-17(16)23-20(21)25/h2-7,12-14H,8-11H2,1H3,(H,23,25)
InChIKeyOVIKQXLYWNKWQB-UHFFFAOYSA-N
MW363.49 g/mol
LogP4.34
Rot. Bonds2

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

1'-[1-(1,3-benzothiazol-5-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 146415370) has the molecular formula C21H21N3OS and a molecular weight of 363.49 g/mol. Its IUPAC name is 1'-[1-(1,3-benzothiazol-5-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[1-(1,3-benzothiazol-5-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID146415370
Molecular FormulaC21H21N3OS
Molecular Weight363.49 g/mol
Exact Mass363.14
IUPAC Name1'-[1-(1,3-benzothiazol-5-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESCC(c1ccc2scnc2c1)N1CCC2(CC1)C(=O)Nc1ccccc12
InChIInChI=1S/C21H21N3OS/c1-14(15-6-7-19-18(12-15)22-13-26-19)24-10-8-21(9-11-24)16-4-2-3-5-17(16)23-20(21)25/h2-7,12-14H,8-11H2,1H3,(H,23,25)
InChIKeyOVIKQXLYWNKWQB-UHFFFAOYSA-N
XLogP4.34
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-[1-(1,3-benzothiazol-5-yl)ethyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 146415287
5-(1-piperazin-1-ylethyl)-1,3-benzothiazole;dihydrochloride
CID 127264088
8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-3-pyrimidin-5-yl-1,3,8-triazaspiro[4.5]decan-2-one
CID 146415034
8-[1-(1,3-benzothiazol-5-yl)ethyl]-3-pyrimidin-5-yl-1,3,8-triazaspiro[4.5]decan-2-one
CID 146415044
8-[1-(1,3-benzothiazol-5-yl)ethyl]-3-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 146415096
8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-(6-methyl-3-pyridinyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 146415335
5-[1-(4,5,7,8-tetrahydro-1H-imidazo[4,5-d]azepin-6-yl)ethyl]-1,3-benzothiazole
CID 154685730
7-[1-(1,3-benzothiazol-5-yl)ethyl]-5,6,8,9-tetrahydro-1H-pyrimido[4,5-d]azepin-2-one
CID 146412484
bis(4-[8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-1-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile);bis(4-[8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-1-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile)
CID 161163834
1'-ethylspiro[1H-indole-3,4'-piperidine]-2-one
CID 3042076
5-[1-(7-methylsulfonyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]-1,3-benzothiazole
CID 146412633
[3-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-imino-methyl-oxo-λ6-sulfane
CID 146412779

Frequently Asked Questions

What is the IUPAC name of 1'-[1-(1,3-benzothiazol-5-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[1-(1,3-benzothiazol-5-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one (CID 146415370) is 1'-[1-(1,3-benzothiazol-5-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[1-(1,3-benzothiazol-5-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[1-(1,3-benzothiazol-5-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one is CC(c1ccc2scnc2c1)N1CCC2(CC1)C(=O)Nc1ccccc12.
What is the InChIKey of 1'-[1-(1,3-benzothiazol-5-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is OVIKQXLYWNKWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3OS/c1-14(15-6-7-19-18(12-15)22-13-26-19)24-10-8-21(9-11-24)16-4-2-3-5-17(16)23-20(21)25/h2-7,12-14H,8-11H2,1H3,(H,23,25).
What are the key properties of 1'-[1-(1,3-benzothiazol-5-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one?
1'-[1-(1,3-benzothiazol-5-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 363.49 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[1-(1,3-benzothiazol-5-yl)ethyl]spiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 146415370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).