4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methoxycyclohepta-1,3,6-triene-1-carboxamide

C16H20FN3O4 — CID 166077742

IUPAC4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methoxycyclohepta-1,3,6-triene-1-carboxamide
SMILESCOC1=CC(C(=O)NC2CCC(=O)NC2=O)=CC=C(N(C)C)C1F
InChIInChI=1S/C16H20FN3O4/c1-20(2)11-6-4-9(8-12(24-3)14(11)17)15(22)18-10-5-7-13(21)19-16(10)23/h4,6,8,10,14H,5,7H2,1-3H3,(H,18,22)(H,19,21,23)
InChIKeySUSIWMOEVVEVIX-UHFFFAOYSA-N
MW337.35 g/mol
LogP0.16
Rot. Bonds4

About 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methoxycyclohepta-1,3,6-triene-1-carboxamide

4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methoxycyclohepta-1,3,6-triene-1-carboxamide (PubChem CID 166077742) has the molecular formula C16H20FN3O4 and a molecular weight of 337.35 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methoxycyclohepta-1,3,6-triene-1-carboxamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methoxycyclohepta-1,3,6-triene-1-carboxamide
PubChem CID166077742
Molecular FormulaC16H20FN3O4
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC Name4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methoxycyclohepta-1,3,6-triene-1-carboxamide
SMILESCOC1=CC(C(=O)NC2CCC(=O)NC2=O)=CC=C(N(C)C)C1F
InChIInChI=1S/C16H20FN3O4/c1-20(2)11-6-4-9(8-12(24-3)14(11)17)15(22)18-10-5-7-13(21)19-16(10)23/h4,6,8,10,14H,5,7H2,1-3H3,(H,18,22)(H,19,21,23)
InChIKeySUSIWMOEVVEVIX-UHFFFAOYSA-N
XLogP0.16
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methoxycyclohepta-1,3,6-triene-1-carboxamide with MolForge

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Related Compounds

(4-Azaniumyl-6-fluoro-3-methoxy-7-methylcyclohepta-1,3,6-triene-1-carbonyl)-(2,6-dioxopiperidin-3-yl)-methylideneazanium
CID 166077496
4-amino-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-5-methoxy-7-methylcyclohepta-1,3,6-triene-1-carboxamide
CID 166077826
(2E,3Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidene-5-fluoro-N-formyl-3-methylhexa-3,5-dienamide
CID 166940900
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
(4E)-5-(dimethylamino)-N-[[(7E)-1-(2,6-dioxopiperidin-3-yl)-9-oxo-2H-azonin-5-yl]methyl]-2,2-difluoro-3-methylidenehepta-4,6-dienamide
CID 174143767
N-butyl-N-(2,6-dioxopiperidin-3-yl)-5-fluoro-4,6-dimethoxy-7-methylcyclohepta-1,3,6-triene-1-carboxamide
CID 175630866
N-(2,6-dioxopiperidin-3-yl)-7-(ethylamino)-2,3-difluoro-4-methoxycyclohepta-1,3,6-triene-1-carboxamide
CID 175630870
7-amino-N-(2,6-dioxopiperidin-3-yl)-3,5-difluoro-4-methoxycyclohepta-1,3,6-triene-1-carboxamide
CID 175630872
N-butyl-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-3-methoxy-7-methyl-4-(methylamino)cyclohepta-1,3,6-triene-1-carboxamide
CID 175630917
N-butyl-N-(2,6-dioxopiperidin-3-yl)-3,6-difluoro-7-methyl-4-(methylamino)cyclohepta-1,3,6-triene-1-carboxamide
CID 175630919
3-(11-Amino-10-fluoro-9-methoxy-2-oxo-3-azabicyclo[6.5.0]trideca-1(13),8,11-trien-3-yl)piperidine-2,6-dione
CID 175630959

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methoxycyclohepta-1,3,6-triene-1-carboxamide?
The IUPAC name of 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methoxycyclohepta-1,3,6-triene-1-carboxamide (CID 166077742) is 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methoxycyclohepta-1,3,6-triene-1-carboxamide.
What is the SMILES notation for 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methoxycyclohepta-1,3,6-triene-1-carboxamide?
The canonical SMILES for 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methoxycyclohepta-1,3,6-triene-1-carboxamide is COC1=CC(C(=O)NC2CCC(=O)NC2=O)=CC=C(N(C)C)C1F.
What is the InChIKey of 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methoxycyclohepta-1,3,6-triene-1-carboxamide?
The InChIKey is SUSIWMOEVVEVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O4/c1-20(2)11-6-4-9(8-12(24-3)14(11)17)15(22)18-10-5-7-13(21)19-16(10)23/h4,6,8,10,14H,5,7H2,1-3H3,(H,18,22)(H,19,21,23).
What are the key properties of 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methoxycyclohepta-1,3,6-triene-1-carboxamide?
4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methoxycyclohepta-1,3,6-triene-1-carboxamide has a molecular weight of 337.35 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-methoxycyclohepta-1,3,6-triene-1-carboxamide is sourced from PubChem (CID 166077742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).