6'-but-1-en-2-yl-4'-(3-methoxyphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione

C23H24N2O3 — CID 172765225

IUPAC6'-but-1-en-2-yl-4'-(3-methoxyphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
SMILESC=C(CC)C1NC(=O)CC(c2cccc(OC)c2)C12C(=O)Nc1ccccc12
InChIInChI=1S/C23H24N2O3/c1-4-14(2)21-23(17-10-5-6-11-19(17)24-22(23)27)18(13-20(26)25-21)15-8-7-9-16(12-15)28-3/h5-12,18,21H,2,4,13H2,1,3H3,(H,24,27)(H,25,26)
InChIKeyMFJVHLSEOZYCDO-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.52
Rot. Bonds4

About 6'-but-1-en-2-yl-4'-(3-methoxyphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione

6'-but-1-en-2-yl-4'-(3-methoxyphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione (PubChem CID 172765225) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 6'-but-1-en-2-yl-4'-(3-methoxyphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione.

Molecular Properties

Compound Name6'-but-1-en-2-yl-4'-(3-methoxyphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
PubChem CID172765225
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name6'-but-1-en-2-yl-4'-(3-methoxyphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
SMILESC=C(CC)C1NC(=O)CC(c2cccc(OC)c2)C12C(=O)Nc1ccccc12
InChIInChI=1S/C23H24N2O3/c1-4-14(2)21-23(17-10-5-6-11-19(17)24-22(23)27)18(13-20(26)25-21)15-8-7-9-16(12-15)28-3/h5-12,18,21H,2,4,13H2,1,3H3,(H,24,27)(H,25,26)
InChIKeyMFJVHLSEOZYCDO-UHFFFAOYSA-N
XLogP3.52
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-4'-(3-chlorophenyl)-6'-(4-methylpent-1-en-2-yl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 69156437
7,11-bis(3-methoxyphenyl)-3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5,9-trione
CID 10526991
5-hydroxy-4-(3-methoxyphenyl)-5-methylpyrrolidin-2-one
CID 71170186
1'-chloro-4'-(3-chlorophenyl)-6'-prop-1-en-2-ylspiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 141183576
(2'S,3R)-2'-(3-methoxyphenyl)-1'-[2-(1-methylpiperidin-4-yl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166623666
(3S,4'R,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(2-ethylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 68958392
(2'S,3R)-2'-(3-methoxyphenyl)-1'-(3-methylsulfonylpropanoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612858
ethyl 3-(3-methoxyphenyl)-5-oxopyrrolidine-2-carboxylate
CID 105360187
6-(3-methoxyphenyl)piperidine-2,4-dione
CID 83822055
(2'S,3R)-2'-(3-methoxyphenyl)-1'-[3-(1,2,4-triazol-4-yl)propanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166613922
(2'S,3R)-1'-(2-ethylpyrimidine-5-carbonyl)-2'-(3-methoxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one;formic acid
CID 171324971
(2'S,3R)-1'-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-2'-(3-methoxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166616757

Frequently Asked Questions

What is the IUPAC name of 6'-but-1-en-2-yl-4'-(3-methoxyphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
The IUPAC name of 6'-but-1-en-2-yl-4'-(3-methoxyphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione (CID 172765225) is 6'-but-1-en-2-yl-4'-(3-methoxyphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione.
What is the SMILES notation for 6'-but-1-en-2-yl-4'-(3-methoxyphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
The canonical SMILES for 6'-but-1-en-2-yl-4'-(3-methoxyphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione is C=C(CC)C1NC(=O)CC(c2cccc(OC)c2)C12C(=O)Nc1ccccc12.
What is the InChIKey of 6'-but-1-en-2-yl-4'-(3-methoxyphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
The InChIKey is MFJVHLSEOZYCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-4-14(2)21-23(17-10-5-6-11-19(17)24-22(23)27)18(13-20(26)25-21)15-8-7-9-16(12-15)28-3/h5-12,18,21H,2,4,13H2,1,3H3,(H,24,27)(H,25,26).
What are the key properties of 6'-but-1-en-2-yl-4'-(3-methoxyphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
6'-but-1-en-2-yl-4'-(3-methoxyphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione has a molecular weight of 376.46 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-but-1-en-2-yl-4'-(3-methoxyphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione is sourced from PubChem (CID 172765225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).