2-(4-chlorophenyl)-1-(5-methyl-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)ethanone

C24H27ClN2O — CID 23961254

IUPAC2-(4-chlorophenyl)-1-(5-methyl-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)ethanone
SMILESC=CCN1CCC2(CC1)CN(C(=O)Cc1ccc(Cl)cc1)c1ccc(C)cc12
InChIInChI=1S/C24H27ClN2O/c1-3-12-26-13-10-24(11-14-26)17-27(22-9-4-18(2)15-21(22)24)23(28)16-19-5-7-20(25)8-6-19/h3-9,15H,1,10-14,16-17H2,2H3
InChIKeyJPHMCJVHFCJEJD-UHFFFAOYSA-N
MW394.95 g/mol
LogP4.76
Rot. Bonds4

About 2-(4-chlorophenyl)-1-(5-methyl-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)ethanone

2-(4-chlorophenyl)-1-(5-methyl-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)ethanone (PubChem CID 23961254) has the molecular formula C24H27ClN2O and a molecular weight of 394.95 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(5-methyl-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(5-methyl-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)ethanone
PubChem CID23961254
Molecular FormulaC24H27ClN2O
Molecular Weight394.95 g/mol
Exact Mass394.18
IUPAC Name2-(4-chlorophenyl)-1-(5-methyl-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)ethanone
SMILESC=CCN1CCC2(CC1)CN(C(=O)Cc1ccc(Cl)cc1)c1ccc(C)cc12
InChIInChI=1S/C24H27ClN2O/c1-3-12-26-13-10-24(11-14-26)17-27(22-9-4-18(2)15-21(22)24)23(28)16-19-5-7-20(25)8-6-19/h3-9,15H,1,10-14,16-17H2,2H3
InChIKeyJPHMCJVHFCJEJD-UHFFFAOYSA-N
XLogP4.76
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.95
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(5-methyl-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-(5-methyl-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)ethanone (CID 23961254) is 2-(4-chlorophenyl)-1-(5-methyl-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(5-methyl-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-(5-methyl-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)ethanone is C=CCN1CCC2(CC1)CN(C(=O)Cc1ccc(Cl)cc1)c1ccc(C)cc12.
What is the InChIKey of 2-(4-chlorophenyl)-1-(5-methyl-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)ethanone?
The InChIKey is JPHMCJVHFCJEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O/c1-3-12-26-13-10-24(11-14-26)17-27(22-9-4-18(2)15-21(22)24)23(28)16-19-5-7-20(25)8-6-19/h3-9,15H,1,10-14,16-17H2,2H3.
What are the key properties of 2-(4-chlorophenyl)-1-(5-methyl-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)ethanone?
2-(4-chlorophenyl)-1-(5-methyl-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)ethanone has a molecular weight of 394.95 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(5-methyl-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)ethanone is sourced from PubChem (CID 23961254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).