1'-[2-(2,3-dichlorophenoxy)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one

C20H18Cl2N2O3 — CID 25119442

IUPAC1'-[2-(2,3-dichlorophenoxy)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESO=C(COc1cccc(Cl)c1Cl)N1CCC2(CC1)C(=O)Nc1ccccc12
InChIInChI=1S/C20H18Cl2N2O3/c21-14-5-3-7-16(18(14)22)27-12-17(25)24-10-8-20(9-11-24)13-4-1-2-6-15(13)23-19(20)26/h1-7H,8-12H2,(H,23,26)
InChIKeyKBHUOGPJHSIRQM-UHFFFAOYSA-N
MW405.28 g/mol
LogP3.88
Rot. Bonds3

About 1'-[2-(2,3-dichlorophenoxy)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one

1'-[2-(2,3-dichlorophenoxy)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 25119442) has the molecular formula C20H18Cl2N2O3 and a molecular weight of 405.28 g/mol. Its IUPAC name is 1'-[2-(2,3-dichlorophenoxy)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[2-(2,3-dichlorophenoxy)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID25119442
Molecular FormulaC20H18Cl2N2O3
Molecular Weight405.28 g/mol
Exact Mass404.07
IUPAC Name1'-[2-(2,3-dichlorophenoxy)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESO=C(COc1cccc(Cl)c1Cl)N1CCC2(CC1)C(=O)Nc1ccccc12
InChIInChI=1S/C20H18Cl2N2O3/c21-14-5-3-7-16(18(14)22)27-12-17(25)24-10-8-20(9-11-24)13-4-1-2-6-15(13)23-19(20)26/h1-7H,8-12H2,(H,23,26)
InChIKeyKBHUOGPJHSIRQM-UHFFFAOYSA-N
XLogP3.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.28
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1'-[2-(2,6-dimethylphenoxy)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 59862940
1'-[2-(2,6-dichlorophenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 59862912
1'-[2-(2-methoxy-6-methylphenoxy)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 59862952
1'-(2-thiophen-2-yloxyacetyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 69254533
2-(2,3-dichlorophenoxy)-1-spiro[indene-1,4'-piperidine]-1'-ylethanone
CID 44611733
spiro[indole-3,4'-piperidine];1'-[2-[2-(trifluoromethoxy)phenoxy]acetyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 158524628
1'-[2-(4-fluorophenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 59862924
1'-(2-pyrimidin-2-ylsulfanylacetyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 56901703
1'-(4-chlorobenzoyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 56892371
2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 154879377
2-(2,3-dichlorophenoxy)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 34194223
butyl 2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate
CID 70245325

Frequently Asked Questions

What is the IUPAC name of 1'-[2-(2,3-dichlorophenoxy)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[2-(2,3-dichlorophenoxy)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one (CID 25119442) is 1'-[2-(2,3-dichlorophenoxy)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[2-(2,3-dichlorophenoxy)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[2-(2,3-dichlorophenoxy)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one is O=C(COc1cccc(Cl)c1Cl)N1CCC2(CC1)C(=O)Nc1ccccc12.
What is the InChIKey of 1'-[2-(2,3-dichlorophenoxy)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is KBHUOGPJHSIRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O3/c21-14-5-3-7-16(18(14)22)27-12-17(25)24-10-8-20(9-11-24)13-4-1-2-6-15(13)23-19(20)26/h1-7H,8-12H2,(H,23,26).
What are the key properties of 1'-[2-(2,3-dichlorophenoxy)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one?
1'-[2-(2,3-dichlorophenoxy)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 405.28 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(2,3-dichlorophenoxy)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 25119442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).