2-(4-chlorophenyl)-2-methyl-1-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpropan-1-one

C23H26ClNO — CID 11717611

IUPAC2-(4-chlorophenyl)-2-methyl-1-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpropan-1-one
SMILESCC(C)(C(=O)N1CCC2(CC1)Cc1ccccc1C2)c1ccc(Cl)cc1
InChIInChI=1S/C23H26ClNO/c1-22(2,19-7-9-20(24)10-8-19)21(26)25-13-11-23(12-14-25)15-17-5-3-4-6-18(17)16-23/h3-10H,11-16H2,1-2H3
InChIKeyYJMYOCFFMDILHN-UHFFFAOYSA-N
MW367.92 g/mol
LogP5.03
Rot. Bonds2

About 2-(4-chlorophenyl)-2-methyl-1-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpropan-1-one

2-(4-chlorophenyl)-2-methyl-1-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpropan-1-one (PubChem CID 11717611) has the molecular formula C23H26ClNO and a molecular weight of 367.92 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-methyl-1-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpropan-1-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-methyl-1-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpropan-1-one
PubChem CID11717611
Molecular FormulaC23H26ClNO
Molecular Weight367.92 g/mol
Exact Mass367.17
IUPAC Name2-(4-chlorophenyl)-2-methyl-1-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpropan-1-one
SMILESCC(C)(C(=O)N1CCC2(CC1)Cc1ccccc1C2)c1ccc(Cl)cc1
InChIInChI=1S/C23H26ClNO/c1-22(2,19-7-9-20(24)10-8-19)21(26)25-13-11-23(12-14-25)15-17-5-3-4-6-18(17)16-23/h3-10H,11-16H2,1-2H3
InChIKeyYJMYOCFFMDILHN-UHFFFAOYSA-N
XLogP5.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.92
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(4-chlorophenyl)-2-methyl-1-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpropan-1-one with MolForge

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Related Compounds

2-(4-chlorophenyl)-2-methyl-1-(4-methyl-4-phenylpiperidin-1-yl)propan-1-one
CID 11717371
1-(azepan-1-yl)-2-(4-chlorophenyl)-2-methylpropan-1-one
CID 11673560
1-[4-(2-tert-butylsilyloxypropan-2-yl)-4-phenylpiperidin-1-yl]-2-(4-chlorophenyl)-2-methylpropan-1-one
CID 154253554
1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenylpiperidin-1-yl]-2-(4-chlorophenyl)-2-methylpropan-1-one
CID 20607370
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-chlorophenyl)-2-methylpropan-1-one;hydrochloride
CID 120805682
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-2-phenylpropan-1-one
CID 35371146
1-[2-methyl-2-(4-methylphenyl)propanoyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168579
2-(4-chlorophenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 113197527
2-(4-chlorophenyl)-2-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 113197535
2-(4-chlorophenyl)-2-methyl-1-[7-[(4-methylphenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one;ethane;formaldehyde
CID 144923259
4-[2-(4-chlorophenyl)-2-methylpropanoyl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 56509937
3-ethyl-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid
CID 63146380

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-methyl-1-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpropan-1-one?
The IUPAC name of 2-(4-chlorophenyl)-2-methyl-1-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpropan-1-one (CID 11717611) is 2-(4-chlorophenyl)-2-methyl-1-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpropan-1-one.
What is the SMILES notation for 2-(4-chlorophenyl)-2-methyl-1-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpropan-1-one?
The canonical SMILES for 2-(4-chlorophenyl)-2-methyl-1-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpropan-1-one is CC(C)(C(=O)N1CCC2(CC1)Cc1ccccc1C2)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-methyl-1-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpropan-1-one?
The InChIKey is YJMYOCFFMDILHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClNO/c1-22(2,19-7-9-20(24)10-8-19)21(26)25-13-11-23(12-14-25)15-17-5-3-4-6-18(17)16-23/h3-10H,11-16H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-2-methyl-1-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpropan-1-one?
2-(4-chlorophenyl)-2-methyl-1-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpropan-1-one has a molecular weight of 367.92 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-methyl-1-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpropan-1-one is sourced from PubChem (CID 11717611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).