N-butyl-N-(2,6-dioxopiperidin-3-yl)-5-fluoro-4,6-dimethoxy-7-methylcyclohepta-1,3,6-triene-1-carboxamide

C20H27FN2O5 — CID 175630866

IUPACN-butyl-N-(2,6-dioxopiperidin-3-yl)-5-fluoro-4,6-dimethoxy-7-methylcyclohepta-1,3,6-triene-1-carboxamide
SMILESCCCCN(C(=O)C1=CC=C(OC)C(F)C(OC)=C1C)C1CCC(=O)NC1=O
InChIInChI=1S/C20H27FN2O5/c1-5-6-11-23(14-8-10-16(24)22-19(14)25)20(26)13-7-9-15(27-3)17(21)18(28-4)12(13)2/h7,9,14,17H,5-6,8,10-11H2,1-4H3,(H,22,24,25)
InChIKeyNPUOVAKEMWVNNM-UHFFFAOYSA-N
MW394.44 g/mol
LogP2.15
Rot. Bonds7

About N-butyl-N-(2,6-dioxopiperidin-3-yl)-5-fluoro-4,6-dimethoxy-7-methylcyclohepta-1,3,6-triene-1-carboxamide

N-butyl-N-(2,6-dioxopiperidin-3-yl)-5-fluoro-4,6-dimethoxy-7-methylcyclohepta-1,3,6-triene-1-carboxamide (PubChem CID 175630866) has the molecular formula C20H27FN2O5 and a molecular weight of 394.44 g/mol. Its IUPAC name is N-butyl-N-(2,6-dioxopiperidin-3-yl)-5-fluoro-4,6-dimethoxy-7-methylcyclohepta-1,3,6-triene-1-carboxamide.

Molecular Properties

Compound NameN-butyl-N-(2,6-dioxopiperidin-3-yl)-5-fluoro-4,6-dimethoxy-7-methylcyclohepta-1,3,6-triene-1-carboxamide
PubChem CID175630866
Molecular FormulaC20H27FN2O5
Molecular Weight394.44 g/mol
Exact Mass394.19
IUPAC NameN-butyl-N-(2,6-dioxopiperidin-3-yl)-5-fluoro-4,6-dimethoxy-7-methylcyclohepta-1,3,6-triene-1-carboxamide
SMILESCCCCN(C(=O)C1=CC=C(OC)C(F)C(OC)=C1C)C1CCC(=O)NC1=O
InChIInChI=1S/C20H27FN2O5/c1-5-6-11-23(14-8-10-16(24)22-19(14)25)20(26)13-7-9-15(27-3)17(21)18(28-4)12(13)2/h7,9,14,17H,5-6,8,10-11H2,1-4H3,(H,22,24,25)
InChIKeyNPUOVAKEMWVNNM-UHFFFAOYSA-N
XLogP2.15
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-butyl-N-(2,6-dioxopiperidin-3-yl)-5-fluoro-4,6-dimethoxy-7-methylcyclohepta-1,3,6-triene-1-carboxamide 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

(2E)-N-(2,6-dioxopiperidin-3-yl)-2-(1-fluoroethenyl)-3-formyl-N,4-dimethylpenta-2,4-dienamide
CID 142305954
3-[3-[(Z)-but-2-en-2-yl]-4-(1-fluoroethenyl)-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione
CID 142305955
(2Z,3E)-N-(2,6-dioxopiperidin-3-yl)-2-(1-fluoroethylidene)-3-formyl-N-methylhexa-3,5-dienamide
CID 142616415
3-[3-[(1Z)-3-fluorobuta-1,3-dienyl]-4-methyl-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
CID 155468820
(4-Azaniumyl-6-fluoro-3-methoxy-7-methylcyclohepta-1,3,6-triene-1-carbonyl)-(2,6-dioxopiperidin-3-yl)-methylideneazanium
CID 166077496
(2E,3Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidene-5-fluoro-N-formyl-3-methylhexa-3,5-dienamide
CID 166940900
3-[(5E,7S)-5-ethyl-7-fluoro-8-methyl-4-oxo-7,8-dihydro-2H-1,3-oxazocin-3-yl]piperidine-2,6-dione
CID 169635313
(3Z,5E)-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-N-formyl-3-methyl-2-methylidenehepta-3,5-dienamide
CID 169834730
(2Z)-N-(2,6-dioxopiperidin-3-yl)-3-fluoro-N-methyl-2-[(E)-1-oxobut-2-en-2-yl]penta-2,4-dienamide
CID 171510961
6-amino-N-(2,6-dioxopiperidin-3-yl)-4-fluoro-5-methoxy-N-methylcyclohexa-1,5-diene-1-carboxamide
CID 171846869
6-amino-N-(2,6-dioxopiperidin-3-yl)-3-fluoro-5-methoxy-N-methylcyclohexa-1,5-diene-1-carboxamide
CID 171846984
3-(8-Fluoro-7-methoxy-1-oxo-3,4,5,6,8,9-hexahydro-2-benzazocin-2-yl)piperidine-2,6-dione
CID 171847212

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2,6-dioxopiperidin-3-yl)-5-fluoro-4,6-dimethoxy-7-methylcyclohepta-1,3,6-triene-1-carboxamide?
The IUPAC name of N-butyl-N-(2,6-dioxopiperidin-3-yl)-5-fluoro-4,6-dimethoxy-7-methylcyclohepta-1,3,6-triene-1-carboxamide (CID 175630866) is N-butyl-N-(2,6-dioxopiperidin-3-yl)-5-fluoro-4,6-dimethoxy-7-methylcyclohepta-1,3,6-triene-1-carboxamide.
What is the SMILES notation for N-butyl-N-(2,6-dioxopiperidin-3-yl)-5-fluoro-4,6-dimethoxy-7-methylcyclohepta-1,3,6-triene-1-carboxamide?
The canonical SMILES for N-butyl-N-(2,6-dioxopiperidin-3-yl)-5-fluoro-4,6-dimethoxy-7-methylcyclohepta-1,3,6-triene-1-carboxamide is CCCCN(C(=O)C1=CC=C(OC)C(F)C(OC)=C1C)C1CCC(=O)NC1=O.
What is the InChIKey of N-butyl-N-(2,6-dioxopiperidin-3-yl)-5-fluoro-4,6-dimethoxy-7-methylcyclohepta-1,3,6-triene-1-carboxamide?
The InChIKey is NPUOVAKEMWVNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O5/c1-5-6-11-23(14-8-10-16(24)22-19(14)25)20(26)13-7-9-15(27-3)17(21)18(28-4)12(13)2/h7,9,14,17H,5-6,8,10-11H2,1-4H3,(H,22,24,25).
What are the key properties of N-butyl-N-(2,6-dioxopiperidin-3-yl)-5-fluoro-4,6-dimethoxy-7-methylcyclohepta-1,3,6-triene-1-carboxamide?
N-butyl-N-(2,6-dioxopiperidin-3-yl)-5-fluoro-4,6-dimethoxy-7-methylcyclohepta-1,3,6-triene-1-carboxamide has a molecular weight of 394.44 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2,6-dioxopiperidin-3-yl)-5-fluoro-4,6-dimethoxy-7-methylcyclohepta-1,3,6-triene-1-carboxamide is sourced from PubChem (CID 175630866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).