3-[3-methyl-4-[(Z)-3-methylidene-5-piperidin-4-ylpent-1-enyl]-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione

C21H29N3O3 — CID 134582992

IUPAC3-[3-methyl-4-[(Z)-3-methylidene-5-piperidin-4-ylpent-1-enyl]-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione
SMILESC=C(/C=C\C1=C(C)CN(C2CCC(=O)NC2=O)C1=O)CCC1CCNCC1
InChIInChI=1S/C21H29N3O3/c1-14(3-5-16-9-11-22-12-10-16)4-6-17-15(2)13-24(21(17)27)18-7-8-19(25)23-20(18)26/h4,6,16,18,22H,1,3,5,7-13H2,2H3,(H,23,25,26)/b6-4-
InChIKeyZPPSAXJUPFXFBZ-XQRVVYSFSA-N
MW371.48 g/mol
LogP1.84
Rot. Bonds6

About 3-[3-methyl-4-[(Z)-3-methylidene-5-piperidin-4-ylpent-1-enyl]-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione

3-[3-methyl-4-[(Z)-3-methylidene-5-piperidin-4-ylpent-1-enyl]-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione (PubChem CID 134582992) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 3-[3-methyl-4-[(Z)-3-methylidene-5-piperidin-4-ylpent-1-enyl]-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-methyl-4-[(Z)-3-methylidene-5-piperidin-4-ylpent-1-enyl]-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione
PubChem CID134582992
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name3-[3-methyl-4-[(Z)-3-methylidene-5-piperidin-4-ylpent-1-enyl]-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione
SMILESC=C(/C=C\C1=C(C)CN(C2CCC(=O)NC2=O)C1=O)CCC1CCNCC1
InChIInChI=1S/C21H29N3O3/c1-14(3-5-16-9-11-22-12-10-16)4-6-17-15(2)13-24(21(17)27)18-7-8-19(25)23-20(18)26/h4,6,16,18,22H,1,3,5,7-13H2,2H3,(H,23,25,26)/b6-4-
InChIKeyZPPSAXJUPFXFBZ-XQRVVYSFSA-N
XLogP1.84
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[4-[4-amino-2-(difluoromethyl)butyl]piperazin-1-yl]-N-methyl-N-(1-methyl-2,6-dioxopiperidin-3-yl)cyclohexa-1,3-diene-1-carboxamide
CID 169634205
2-cyclohexyl-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2-difluoroacetamide
CID 170311892
(4E)-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2-difluoro-3-methylidene-5-[(4-methylpiperazin-1-yl)methyl]hepta-4,6-dienamide
CID 170312281
3-[(3Z)-3-[(E)-1-fluoro-3-piperidin-2-ylbut-2-enylidene]-4-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione
CID 174263140
3-[5-(aminomethyl)-4-fluoro-7-methyl-3-oxo-6,7-dihydro-1H-isoindol-2-yl]piperidine-2,6-dione
CID 176717740
4-[4-(2-aminoethyl)piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-2-fluorocyclohepta-1,3,6-triene-1-carboxamide
CID 178047474
N-(2,6-dioxopiperidin-3-yl)-3-fluoro-4-methylcyclohepta-1,6-diene-1-carboxamide
CID 156866620
N-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methylcyclohexa-1,5-diene-1-carboxamide
CID 166077811
9-[[4-[(E)-4-methylpent-1-enyl]cyclohex-3-en-1-yl]methyl]-3-(2-methylpropyl)-1-propyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione
CID 21926674
2-(2,6-dioxopiperidin-3-yl)-6,6a-dihydro-5aH-cyclopropa[e]isoindole-1,3-dione
CID 57643342
3-(5-Ethyl-1-oxo-3,5-dihydrocyclohepta[c]pyrrol-2-yl)piperidine-2,6-dione
CID 58623661
3-(7,7a-Dimethyl-3-oxo-1,7-dihydroisoindol-2-yl)piperidine-2,6-dione
CID 68222147

Frequently Asked Questions

What is the IUPAC name of 3-[3-methyl-4-[(Z)-3-methylidene-5-piperidin-4-ylpent-1-enyl]-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-methyl-4-[(Z)-3-methylidene-5-piperidin-4-ylpent-1-enyl]-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione (CID 134582992) is 3-[3-methyl-4-[(Z)-3-methylidene-5-piperidin-4-ylpent-1-enyl]-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-methyl-4-[(Z)-3-methylidene-5-piperidin-4-ylpent-1-enyl]-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-methyl-4-[(Z)-3-methylidene-5-piperidin-4-ylpent-1-enyl]-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione is C=C(/C=C\C1=C(C)CN(C2CCC(=O)NC2=O)C1=O)CCC1CCNCC1.
What is the InChIKey of 3-[3-methyl-4-[(Z)-3-methylidene-5-piperidin-4-ylpent-1-enyl]-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione?
The InChIKey is ZPPSAXJUPFXFBZ-XQRVVYSFSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-14(3-5-16-9-11-22-12-10-16)4-6-17-15(2)13-24(21(17)27)18-7-8-19(25)23-20(18)26/h4,6,16,18,22H,1,3,5,7-13H2,2H3,(H,23,25,26)/b6-4-.
What are the key properties of 3-[3-methyl-4-[(Z)-3-methylidene-5-piperidin-4-ylpent-1-enyl]-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione?
3-[3-methyl-4-[(Z)-3-methylidene-5-piperidin-4-ylpent-1-enyl]-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione has a molecular weight of 371.48 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methyl-4-[(Z)-3-methylidene-5-piperidin-4-ylpent-1-enyl]-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 134582992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).