1-(5-methoxy-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)-3-methylbutan-1-one

C21H30N2O2 — CID 23991716

IUPAC1-(5-methoxy-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)-3-methylbutan-1-one
SMILESC=CCN1CCC2(CC1)CN(C(=O)CC(C)C)c1ccc(OC)cc12
InChIInChI=1S/C21H30N2O2/c1-5-10-22-11-8-21(9-12-22)15-23(20(24)13-16(2)3)19-7-6-17(25-4)14-18(19)21/h5-7,14,16H,1,8-13,15H2,2-4H3
InChIKeyAUOXWPAMBPPYLW-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.61
Rot. Bonds5

About 1-(5-methoxy-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)-3-methylbutan-1-one

1-(5-methoxy-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)-3-methylbutan-1-one (PubChem CID 23991716) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 1-(5-methoxy-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(5-methoxy-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)-3-methylbutan-1-one
PubChem CID23991716
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name1-(5-methoxy-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)-3-methylbutan-1-one
SMILESC=CCN1CCC2(CC1)CN(C(=O)CC(C)C)c1ccc(OC)cc12
InChIInChI=1S/C21H30N2O2/c1-5-10-22-11-8-21(9-12-22)15-23(20(24)13-16(2)3)19-7-6-17(25-4)14-18(19)21/h5-7,14,16H,1,8-13,15H2,2-4H3
InChIKeyAUOXWPAMBPPYLW-UHFFFAOYSA-N
XLogP3.61
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.61
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

1-[5-methoxy-1'-[(4-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-3-methylbutan-1-one
CID 23963182
(4-fluorophenyl)-(5-methoxy-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone
CID 23826544
2-(4-chlorophenyl)-1-(5-methyl-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)ethanone
CID 23961254
3-methyl-1-[5-methyl-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]butan-1-one
CID 23826004
[5-methoxy-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-naphthalen-2-ylmethanone
CID 23997047
(5-methyl-1,2-oxazol-3-yl)-(5-methyl-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone
CID 23851756
(3,4-dichlorophenyl)-[5-methoxy-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone
CID 23962072
1-(1'-cyclopropyl-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2-(4-methoxyphenyl)ethanone
CID 23822619
[1'-(cyclopropylmethyl)-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]-(4-methylphenyl)methanone
CID 23933633
(2-chloro-4-pyridinyl)-[1'-[(E)-3-(4-fluorophenyl)prop-2-enyl]-5-methoxyspiro[2H-indole-3,4'-piperidine]-1-yl]methanone
CID 53344855
cyclohexyl-(1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone
CID 11151925
(5-fluoro-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)-(2-sulfanylidene-1H-pyridin-3-yl)methanone
CID 59004060

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)-3-methylbutan-1-one?
The IUPAC name of 1-(5-methoxy-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)-3-methylbutan-1-one (CID 23991716) is 1-(5-methoxy-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)-3-methylbutan-1-one.
What is the SMILES notation for 1-(5-methoxy-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)-3-methylbutan-1-one?
The canonical SMILES for 1-(5-methoxy-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)-3-methylbutan-1-one is C=CCN1CCC2(CC1)CN(C(=O)CC(C)C)c1ccc(OC)cc12.
What is the InChIKey of 1-(5-methoxy-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)-3-methylbutan-1-one?
The InChIKey is AUOXWPAMBPPYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-5-10-22-11-8-21(9-12-22)15-23(20(24)13-16(2)3)19-7-6-17(25-4)14-18(19)21/h5-7,14,16H,1,8-13,15H2,2-4H3.
What are the key properties of 1-(5-methoxy-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)-3-methylbutan-1-one?
1-(5-methoxy-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)-3-methylbutan-1-one has a molecular weight of 342.48 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)-3-methylbutan-1-one is sourced from PubChem (CID 23991716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).