2-(2,3-dichlorophenoxy)-1-spiro[indene-1,4'-piperidine]-1'-ylethanone

C21H19Cl2NO2 — CID 44611733

IUPAC2-(2,3-dichlorophenoxy)-1-spiro[indene-1,4'-piperidine]-1'-ylethanone
SMILESO=C(COc1cccc(Cl)c1Cl)N1CCC2(C=Cc3ccccc32)CC1
InChIInChI=1S/C21H19Cl2NO2/c22-17-6-3-7-18(20(17)23)26-14-19(25)24-12-10-21(11-13-24)9-8-15-4-1-2-5-16(15)21/h1-9H,10-14H2
InChIKeyMXCFAMBNHSKIEG-UHFFFAOYSA-N
MW388.29 g/mol
LogP4.96
Rot. Bonds3

About 2-(2,3-dichlorophenoxy)-1-spiro[indene-1,4'-piperidine]-1'-ylethanone

2-(2,3-dichlorophenoxy)-1-spiro[indene-1,4'-piperidine]-1'-ylethanone (PubChem CID 44611733) has the molecular formula C21H19Cl2NO2 and a molecular weight of 388.29 g/mol. Its IUPAC name is 2-(2,3-dichlorophenoxy)-1-spiro[indene-1,4'-piperidine]-1'-ylethanone.

Molecular Properties

Compound Name2-(2,3-dichlorophenoxy)-1-spiro[indene-1,4'-piperidine]-1'-ylethanone
PubChem CID44611733
Molecular FormulaC21H19Cl2NO2
Molecular Weight388.29 g/mol
Exact Mass387.08
IUPAC Name2-(2,3-dichlorophenoxy)-1-spiro[indene-1,4'-piperidine]-1'-ylethanone
SMILESO=C(COc1cccc(Cl)c1Cl)N1CCC2(C=Cc3ccccc32)CC1
InChIInChI=1S/C21H19Cl2NO2/c22-17-6-3-7-18(20(17)23)26-14-19(25)24-12-10-21(11-13-24)9-8-15-4-1-2-5-16(15)21/h1-9H,10-14H2
InChIKeyMXCFAMBNHSKIEG-UHFFFAOYSA-N
XLogP4.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.29
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-iodophenoxy)-1-spiro[indene-1,4'-piperidine]-1'-ylethanone
CID 44611595
1'-[2-(2,3-dichlorophenoxy)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 25119442
1-(2-chlorospiro[indene-1,4'-piperidine]-1'-yl)-2-[2-(trifluoromethyl)phenoxy]ethanone
CID 44611987
2,2-dimethyl-1-spiro[indene-1,4'-piperidine]-1'-ylpropan-1-one
CID 21307058
2-(2,3-dichlorophenoxy)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 34194223
2-(2-chlorophenoxy)-1-morpholin-4-ylethanone
CID 905479
2-(2,3-dichlorophenoxy)-1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]ethanone
CID 42986304
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-(2-chlorophenoxy)ethanone
CID 39712498
2-(2,3-dichlorophenoxy)acetic acid;ethanol
CID 174851678
2-(2,6-dichlorophenoxy)-1-pyrrolidin-1-ylethanone
CID 78765489
1-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110366169
1-(2-naphthalen-1-yloxyacetyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433455

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenoxy)-1-spiro[indene-1,4'-piperidine]-1'-ylethanone?
The IUPAC name of 2-(2,3-dichlorophenoxy)-1-spiro[indene-1,4'-piperidine]-1'-ylethanone (CID 44611733) is 2-(2,3-dichlorophenoxy)-1-spiro[indene-1,4'-piperidine]-1'-ylethanone.
What is the SMILES notation for 2-(2,3-dichlorophenoxy)-1-spiro[indene-1,4'-piperidine]-1'-ylethanone?
The canonical SMILES for 2-(2,3-dichlorophenoxy)-1-spiro[indene-1,4'-piperidine]-1'-ylethanone is O=C(COc1cccc(Cl)c1Cl)N1CCC2(C=Cc3ccccc32)CC1.
What is the InChIKey of 2-(2,3-dichlorophenoxy)-1-spiro[indene-1,4'-piperidine]-1'-ylethanone?
The InChIKey is MXCFAMBNHSKIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2NO2/c22-17-6-3-7-18(20(17)23)26-14-19(25)24-12-10-21(11-13-24)9-8-15-4-1-2-5-16(15)21/h1-9H,10-14H2.
What are the key properties of 2-(2,3-dichlorophenoxy)-1-spiro[indene-1,4'-piperidine]-1'-ylethanone?
2-(2,3-dichlorophenoxy)-1-spiro[indene-1,4'-piperidine]-1'-ylethanone has a molecular weight of 388.29 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenoxy)-1-spiro[indene-1,4'-piperidine]-1'-ylethanone is sourced from PubChem (CID 44611733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).