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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).