N'-(2,6-dioxopiperidin-3-yl)-2,2-difluoro-3-hydroxy-3-methyl-N'-[(Z)-2-methylidenehex-3-enoyl]hexanehydrazide

C19H27F2N3O5 — CID 170313868

IUPACN'-(2,6-dioxopiperidin-3-yl)-2,2-difluoro-3-hydroxy-3-methyl-N'-[(Z)-2-methylidenehex-3-enoyl]hexanehydrazide
SMILESC=C(/C=C\CC)C(=O)N(NC(=O)C(F)(F)C(C)(O)CCC)C1CCC(=O)NC1=O
InChIInChI=1S/C19H27F2N3O5/c1-5-7-8-12(3)16(27)24(13-9-10-14(25)22-15(13)26)23-17(28)19(20,21)18(4,29)11-6-2/h7-8,13,29H,3,5-6,9-11H2,1-2,4H3,(H,23,28)(H,22,25,26)/b8-7-
InChIKeyOSMHOCDYVXNXIJ-FPLPWBNLSA-N
MW415.44 g/mol
LogP1.36
Rot. Bonds8

About N'-(2,6-dioxopiperidin-3-yl)-2,2-difluoro-3-hydroxy-3-methyl-N'-[(Z)-2-methylidenehex-3-enoyl]hexanehydrazide

N'-(2,6-dioxopiperidin-3-yl)-2,2-difluoro-3-hydroxy-3-methyl-N'-[(Z)-2-methylidenehex-3-enoyl]hexanehydrazide (PubChem CID 170313868) has the molecular formula C19H27F2N3O5 and a molecular weight of 415.44 g/mol. Its IUPAC name is N'-(2,6-dioxopiperidin-3-yl)-2,2-difluoro-3-hydroxy-3-methyl-N'-[(Z)-2-methylidenehex-3-enoyl]hexanehydrazide.

Molecular Properties

Compound NameN'-(2,6-dioxopiperidin-3-yl)-2,2-difluoro-3-hydroxy-3-methyl-N'-[(Z)-2-methylidenehex-3-enoyl]hexanehydrazide
PubChem CID170313868
Molecular FormulaC19H27F2N3O5
Molecular Weight415.44 g/mol
Exact Mass415.19
IUPAC NameN'-(2,6-dioxopiperidin-3-yl)-2,2-difluoro-3-hydroxy-3-methyl-N'-[(Z)-2-methylidenehex-3-enoyl]hexanehydrazide
SMILESC=C(/C=C\CC)C(=O)N(NC(=O)C(F)(F)C(C)(O)CCC)C1CCC(=O)NC1=O
InChIInChI=1S/C19H27F2N3O5/c1-5-7-8-12(3)16(27)24(13-9-10-14(25)22-15(13)26)23-17(28)19(20,21)18(4,29)11-6-2/h7-8,13,29H,3,5-6,9-11H2,1-2,4H3,(H,23,28)(H,22,25,26)/b8-7-
InChIKeyOSMHOCDYVXNXIJ-FPLPWBNLSA-N
XLogP1.36
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N'-(2,6-dioxopiperidin-3-yl)-2,2-difluoro-3-hydroxy-3-methyl-N'-[(Z)-2-methylidenehex-3-enoyl]hexanehydrazide with MolForge

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

Launch Full Analysis

Related Compounds

1-(2,6-dioxopiperidin-3-yl)-3-methyl-1-(methylamino)urea
CID 135296477
N-[[(Z)-but-1-enoxy]methyl]-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 139363228
(Z)-N-(2,6-dioxo-1,3-diazinan-4-yl)-2-methylidenehex-3-enamide
CID 163850655
(E)-3-[(butanoylamino)methyl]-N-(2,6-dioxopiperidin-3-yl)-N-ethyl-2-methylidenehex-3-enamide
CID 144742551
(Z,3Z)-N-(2,6-dioxopiperidin-3-yl)-3-ethylidenehept-4-enamide
CID 177240315
(Z,3Z)-N-(2,6-dioxopiperidin-3-yl)-3-ethylidenehept-4-enamide;ethane
CID 177240314
(E)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-N-(1-hydroxyethyl)pent-2-enamide
CID 166993001
(2,5-dioxopyrrolidin-3-yl) pent-2-enoate
CID 139903070
(Z)-N-(2,6-dioxopiperidin-3-yl)-N-methylpent-3-enamide
CID 167136379
N-(2,6-dioxopiperidin-3-yl)-N-hydroxyacetamide
CID 145229496
(Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenylimino-N-methylpent-3-enamide
CID 135172470
(2E,3Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidene-N-formyl-3-methylhexa-3,5-dienamide;N-methylpropanamide
CID 168945737

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-dioxopiperidin-3-yl)-2,2-difluoro-3-hydroxy-3-methyl-N'-[(Z)-2-methylidenehex-3-enoyl]hexanehydrazide?
The IUPAC name of N'-(2,6-dioxopiperidin-3-yl)-2,2-difluoro-3-hydroxy-3-methyl-N'-[(Z)-2-methylidenehex-3-enoyl]hexanehydrazide (CID 170313868) is N'-(2,6-dioxopiperidin-3-yl)-2,2-difluoro-3-hydroxy-3-methyl-N'-[(Z)-2-methylidenehex-3-enoyl]hexanehydrazide.
What is the SMILES notation for N'-(2,6-dioxopiperidin-3-yl)-2,2-difluoro-3-hydroxy-3-methyl-N'-[(Z)-2-methylidenehex-3-enoyl]hexanehydrazide?
The canonical SMILES for N'-(2,6-dioxopiperidin-3-yl)-2,2-difluoro-3-hydroxy-3-methyl-N'-[(Z)-2-methylidenehex-3-enoyl]hexanehydrazide is C=C(/C=C\CC)C(=O)N(NC(=O)C(F)(F)C(C)(O)CCC)C1CCC(=O)NC1=O.
What is the InChIKey of N'-(2,6-dioxopiperidin-3-yl)-2,2-difluoro-3-hydroxy-3-methyl-N'-[(Z)-2-methylidenehex-3-enoyl]hexanehydrazide?
The InChIKey is OSMHOCDYVXNXIJ-FPLPWBNLSA-N. The full InChI is InChI=1S/C19H27F2N3O5/c1-5-7-8-12(3)16(27)24(13-9-10-14(25)22-15(13)26)23-17(28)19(20,21)18(4,29)11-6-2/h7-8,13,29H,3,5-6,9-11H2,1-2,4H3,(H,23,28)(H,22,25,26)/b8-7-.
What are the key properties of N'-(2,6-dioxopiperidin-3-yl)-2,2-difluoro-3-hydroxy-3-methyl-N'-[(Z)-2-methylidenehex-3-enoyl]hexanehydrazide?
N'-(2,6-dioxopiperidin-3-yl)-2,2-difluoro-3-hydroxy-3-methyl-N'-[(Z)-2-methylidenehex-3-enoyl]hexanehydrazide has a molecular weight of 415.44 g/mol, XLogP of 1.36, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-dioxopiperidin-3-yl)-2,2-difluoro-3-hydroxy-3-methyl-N'-[(Z)-2-methylidenehex-3-enoyl]hexanehydrazide is sourced from PubChem (CID 170313868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).