N-butyl-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-3-methoxy-7-methyl-4-(methylamino)cyclohepta-1,3,6-triene-1-carboxamide

C20H28FN3O4 — CID 175630917

IUPACN-butyl-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-3-methoxy-7-methyl-4-(methylamino)cyclohepta-1,3,6-triene-1-carboxamide
SMILESCCCCN(C(=O)C1=CC(OC)=C(NC)CC(F)=C1C)C1CCC(=O)NC1=O
InChIInChI=1S/C20H28FN3O4/c1-5-6-9-24(16-7-8-18(25)23-19(16)26)20(27)13-10-17(28-4)15(22-3)11-14(21)12(13)2/h10,16,22H,5-9,11H2,1-4H3,(H,23,25,26)
InChIKeyRCFCSDDWBOYLOJ-UHFFFAOYSA-N
MW393.46 g/mol
LogP2.07
Rot. Bonds7

About N-butyl-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-3-methoxy-7-methyl-4-(methylamino)cyclohepta-1,3,6-triene-1-carboxamide

N-butyl-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-3-methoxy-7-methyl-4-(methylamino)cyclohepta-1,3,6-triene-1-carboxamide (PubChem CID 175630917) has the molecular formula C20H28FN3O4 and a molecular weight of 393.46 g/mol. Its IUPAC name is N-butyl-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-3-methoxy-7-methyl-4-(methylamino)cyclohepta-1,3,6-triene-1-carboxamide.

Molecular Properties

Compound NameN-butyl-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-3-methoxy-7-methyl-4-(methylamino)cyclohepta-1,3,6-triene-1-carboxamide
PubChem CID175630917
Molecular FormulaC20H28FN3O4
Molecular Weight393.46 g/mol
Exact Mass393.21
IUPAC NameN-butyl-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-3-methoxy-7-methyl-4-(methylamino)cyclohepta-1,3,6-triene-1-carboxamide
SMILESCCCCN(C(=O)C1=CC(OC)=C(NC)CC(F)=C1C)C1CCC(=O)NC1=O
InChIInChI=1S/C20H28FN3O4/c1-5-6-9-24(16-7-8-18(25)23-19(16)26)20(27)13-10-17(28-4)15(22-3)11-14(21)12(13)2/h10,16,22H,5-9,11H2,1-4H3,(H,23,25,26)
InChIKeyRCFCSDDWBOYLOJ-UHFFFAOYSA-N
XLogP2.07
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-butyl-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-3-methoxy-7-methyl-4-(methylamino)cyclohepta-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

(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
(4Z)-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2-difluoro-5-methyl-3-methylidene-6-propan-2-yloxyhepta-4,6-dienamide
CID 170312099
(4Z)-N-[2-[(E)-[1-(2,6-dioxopiperidin-3-yl)-4-methylidene-5-oxopyrrolidin-3-ylidene]methyl]prop-2-enyl]-2,2-difluoro-4-methyl-3-methylidene-6-(trifluoromethoxy)hepta-4,6-dienamide
CID 170312115
(3Z,4Z)-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2-difluoro-3-(fluoromethylidene)-6-(trifluoromethoxy)hepta-4,6-dienamide
CID 170312117
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
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)-3,6-difluoro-7-methyl-4-(methylamino)cyclohepta-1,3,6-triene-1-carboxamide
CID 175630919
N-butyl-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-2-methoxy-7-methyl-4-(methylamino)cyclohepta-1,3,6-triene-1-carboxamide
CID 175631403

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-3-methoxy-7-methyl-4-(methylamino)cyclohepta-1,3,6-triene-1-carboxamide?
The IUPAC name of 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) is N-butyl-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-3-methoxy-7-methyl-4-(methylamino)cyclohepta-1,3,6-triene-1-carboxamide.
What is the SMILES notation for N-butyl-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-3-methoxy-7-methyl-4-(methylamino)cyclohepta-1,3,6-triene-1-carboxamide?
The canonical SMILES for N-butyl-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-3-methoxy-7-methyl-4-(methylamino)cyclohepta-1,3,6-triene-1-carboxamide is CCCCN(C(=O)C1=CC(OC)=C(NC)CC(F)=C1C)C1CCC(=O)NC1=O.
What is the InChIKey of N-butyl-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-3-methoxy-7-methyl-4-(methylamino)cyclohepta-1,3,6-triene-1-carboxamide?
The InChIKey is RCFCSDDWBOYLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O4/c1-5-6-9-24(16-7-8-18(25)23-19(16)26)20(27)13-10-17(28-4)15(22-3)11-14(21)12(13)2/h10,16,22H,5-9,11H2,1-4H3,(H,23,25,26).
What are the key properties of N-butyl-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-3-methoxy-7-methyl-4-(methylamino)cyclohepta-1,3,6-triene-1-carboxamide?
N-butyl-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-3-methoxy-7-methyl-4-(methylamino)cyclohepta-1,3,6-triene-1-carboxamide has a molecular weight of 393.46 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 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)-6-fluoro-3-methoxy-7-methyl-4-(methylamino)cyclohepta-1,3,6-triene-1-carboxamide is sourced from PubChem (CID 175630917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).