3-[(4Z)-4-ethylidene-5-heptan-4-yl-3-methyl-2-oxoindol-1-yl]piperidine-2,6-dione

C23H30N2O3 — CID 167470534

IUPAC3-[(4Z)-4-ethylidene-5-heptan-4-yl-3-methyl-2-oxoindol-1-yl]piperidine-2,6-dione
SMILESC/C=c1/c(C(CCC)CCC)ccc2c1=C(C)C(=O)N2C1CCC(=O)NC1=O
InChIInChI=1S/C23H30N2O3/c1-5-8-15(9-6-2)17-10-11-18-21(16(17)7-3)14(4)23(28)25(18)19-12-13-20(26)24-22(19)27/h7,10-11,15,19H,5-6,8-9,12-13H2,1-4H3,(H,24,26,27)/b16-7-
InChIKeyAVQQHPXEXORGSG-APSNUPSMSA-N
MW382.50 g/mol
LogP2.49
Rot. Bonds6

About 3-[(4Z)-4-ethylidene-5-heptan-4-yl-3-methyl-2-oxoindol-1-yl]piperidine-2,6-dione

3-[(4Z)-4-ethylidene-5-heptan-4-yl-3-methyl-2-oxoindol-1-yl]piperidine-2,6-dione (PubChem CID 167470534) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 3-[(4Z)-4-ethylidene-5-heptan-4-yl-3-methyl-2-oxoindol-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(4Z)-4-ethylidene-5-heptan-4-yl-3-methyl-2-oxoindol-1-yl]piperidine-2,6-dione
PubChem CID167470534
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name3-[(4Z)-4-ethylidene-5-heptan-4-yl-3-methyl-2-oxoindol-1-yl]piperidine-2,6-dione
SMILESC/C=c1/c(C(CCC)CCC)ccc2c1=C(C)C(=O)N2C1CCC(=O)NC1=O
InChIInChI=1S/C23H30N2O3/c1-5-8-15(9-6-2)17-10-11-18-21(16(17)7-3)14(4)23(28)25(18)19-12-13-20(26)24-22(19)27/h7,10-11,15,19H,5-6,8-9,12-13H2,1-4H3,(H,24,26,27)/b16-7-
InChIKeyAVQQHPXEXORGSG-APSNUPSMSA-N
XLogP2.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(4Z)-4-ethylidene-5-heptan-4-yl-3-methyl-2-oxoindol-1-yl]piperidine-2,6-dione with MolForge

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Launch Full Analysis

Related Compounds

3-(7-cyclobutyl-5-fluoro-3-oxo-3aH-isoindol-2-yl)piperidine-2,6-dione
CID 153492490
3-[5-(aminomethyl)-4-fluoro-7-methyl-3-oxo-6,7-dihydro-1H-isoindol-2-yl]piperidine-2,6-dione
CID 176717740
3-[[5-Fluoro-3-(2-methylprop-2-enyl)cyclohexa-1,5-dien-1-yl]amino]piperidine-2,6-dione
CID 177003051
(3S)-N-(2-cyclohexylethyl)-6-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxo-2,3-dihydro-1H-indolizine-3-carboxamide
CID 15985682
3-(7,7a-Dimethyl-3-oxo-1,7-dihydroisoindol-2-yl)piperidine-2,6-dione
CID 68222147
3-(5-amino-7-oxo-6,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione
CID 68999394
(3R,6R)-4-(cyclohexa-1,3-dien-1-ylmethyl)-5-methylidene-3-pentan-3-yl-6-(2,3,4,5-tetrahydro-1H-inden-2-yl)piperazin-2-one
CID 70326350
N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-3a,4-dihydroisoindol-4-yl]methyl]undecanamide
CID 70911534
2-(2,6-Dioxopiperidin-3-yl)-4,5-dimethyl-4,5-dihydroisoindole-1,3-dione
CID 71021937
3-[6-[(1Z)-buta-1,3-dienyl]-2,5-dimethyl-7-oxo-4H-azepin-1-yl]piperidine-2,6-dione
CID 117662299
1-[2-(4-Aminocyclohexyl)acetyl]spiro[3,6-dihydropyrrolo[2,3-c]pyridine-2,3'-piperidine]-2',5,6'-trione
CID 132117853
spiro[3,6-dihydro-1H-pyrrolo[2,3-c]pyridine-2,3'-piperidine]-2',5,6'-trione
CID 132117911

Frequently Asked Questions

What is the IUPAC name of 3-[(4Z)-4-ethylidene-5-heptan-4-yl-3-methyl-2-oxoindol-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[(4Z)-4-ethylidene-5-heptan-4-yl-3-methyl-2-oxoindol-1-yl]piperidine-2,6-dione (CID 167470534) is 3-[(4Z)-4-ethylidene-5-heptan-4-yl-3-methyl-2-oxoindol-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[(4Z)-4-ethylidene-5-heptan-4-yl-3-methyl-2-oxoindol-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[(4Z)-4-ethylidene-5-heptan-4-yl-3-methyl-2-oxoindol-1-yl]piperidine-2,6-dione is C/C=c1/c(C(CCC)CCC)ccc2c1=C(C)C(=O)N2C1CCC(=O)NC1=O.
What is the InChIKey of 3-[(4Z)-4-ethylidene-5-heptan-4-yl-3-methyl-2-oxoindol-1-yl]piperidine-2,6-dione?
The InChIKey is AVQQHPXEXORGSG-APSNUPSMSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-5-8-15(9-6-2)17-10-11-18-21(16(17)7-3)14(4)23(28)25(18)19-12-13-20(26)24-22(19)27/h7,10-11,15,19H,5-6,8-9,12-13H2,1-4H3,(H,24,26,27)/b16-7-.
What are the key properties of 3-[(4Z)-4-ethylidene-5-heptan-4-yl-3-methyl-2-oxoindol-1-yl]piperidine-2,6-dione?
3-[(4Z)-4-ethylidene-5-heptan-4-yl-3-methyl-2-oxoindol-1-yl]piperidine-2,6-dione has a molecular weight of 382.50 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4Z)-4-ethylidene-5-heptan-4-yl-3-methyl-2-oxoindol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 167470534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).