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

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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).