1-[5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-2-thiophen-2-ylethanone

C24H30N2OS — CID 23961555

IUPAC1-[5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-2-thiophen-2-ylethanone
SMILESCC(C)=CCN1CCC2(CC1)CN(C(=O)Cc1cccs1)c1ccc(C)cc12
InChIInChI=1S/C24H30N2OS/c1-18(2)8-11-25-12-9-24(10-13-25)17-26(22-7-6-19(3)15-21(22)24)23(27)16-20-5-4-14-28-20/h4-8,14-15H,9-13,16-17H2,1-3H3
InChIKeyDCXSBKOFNWZFMO-UHFFFAOYSA-N
MW394.58 g/mol
LogP4.95
Rot. Bonds4

About 1-[5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-2-thiophen-2-ylethanone

1-[5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-2-thiophen-2-ylethanone (PubChem CID 23961555) has the molecular formula C24H30N2OS and a molecular weight of 394.58 g/mol. Its IUPAC name is 1-[5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-2-thiophen-2-ylethanone
PubChem CID23961555
Molecular FormulaC24H30N2OS
Molecular Weight394.58 g/mol
Exact Mass394.21
IUPAC Name1-[5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-2-thiophen-2-ylethanone
SMILESCC(C)=CCN1CCC2(CC1)CN(C(=O)Cc1cccs1)c1ccc(C)cc12
InChIInChI=1S/C24H30N2OS/c1-18(2)8-11-25-12-9-24(10-13-25)17-26(22-7-6-19(3)15-21(22)24)23(27)16-20-5-4-14-28-20/h4-8,14-15H,9-13,16-17H2,1-3H3
InChIKeyDCXSBKOFNWZFMO-UHFFFAOYSA-N
XLogP4.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.58
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chlorophenyl)-5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23769527
N-(3-fluorophenyl)-5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23740559
1-[1'-[(4-tert-butylphenyl)methyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-2-thiophen-2-ylethanone
CID 23939180
2-(4-chlorophenyl)-1-(5-methyl-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)ethanone
CID 23961254
1-[5-fluoro-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-3-methylbut-2-en-1-one
CID 23733302
N-ethyl-5-methyl-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23903479
(5-methyl-1,2-oxazol-3-yl)-(5-methyl-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone
CID 23851756
3-methyl-1-[5-methyl-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]butan-1-one
CID 23826004
5-fluoro-1'-(3-methylbut-2-enyl)-N-propylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23769084
[5-methoxy-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-naphthalen-2-ylmethanone
CID 23997047
N-ethyl-5-methyl-1'-(2-methylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23737880
1-[1'-[(3-chlorophenyl)methyl]-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl]-3-phenylpropan-1-one
CID 23770953

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-2-thiophen-2-ylethanone (CID 23961555) is 1-[5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-2-thiophen-2-ylethanone is CC(C)=CCN1CCC2(CC1)CN(C(=O)Cc1cccs1)c1ccc(C)cc12.
What is the InChIKey of 1-[5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is DCXSBKOFNWZFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2OS/c1-18(2)8-11-25-12-9-24(10-13-25)17-26(22-7-6-19(3)15-21(22)24)23(27)16-20-5-4-14-28-20/h4-8,14-15H,9-13,16-17H2,1-3H3.
What are the key properties of 1-[5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-2-thiophen-2-ylethanone?
1-[5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 394.58 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 23961555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).