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

C19H25F2N3O3 — CID 175630919

IUPACN-butyl-N-(2,6-dioxopiperidin-3-yl)-3,6-difluoro-7-methyl-4-(methylamino)cyclohepta-1,3,6-triene-1-carboxamide
SMILESCCCCN(C(=O)C1=CC(F)=C(NC)CC(F)=C1C)C1CCC(=O)NC1=O
InChIInChI=1S/C19H25F2N3O3/c1-4-5-8-24(16-6-7-17(25)23-18(16)26)19(27)12-9-14(21)15(22-3)10-13(20)11(12)2/h9,16,22H,4-8,10H2,1-3H3,(H,23,25,26)
InChIKeyFXLPHIXLVDNOLN-UHFFFAOYSA-N
MW381.42 g/mol
LogP2.39
Rot. Bonds6

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

N-butyl-N-(2,6-dioxopiperidin-3-yl)-3,6-difluoro-7-methyl-4-(methylamino)cyclohepta-1,3,6-triene-1-carboxamide (PubChem CID 175630919) has the molecular formula C19H25F2N3O3 and a molecular weight of 381.42 g/mol. Its IUPAC name is N-butyl-N-(2,6-dioxopiperidin-3-yl)-3,6-difluoro-7-methyl-4-(methylamino)cyclohepta-1,3,6-triene-1-carboxamide.

Molecular Properties

Compound NameN-butyl-N-(2,6-dioxopiperidin-3-yl)-3,6-difluoro-7-methyl-4-(methylamino)cyclohepta-1,3,6-triene-1-carboxamide
PubChem CID175630919
Molecular FormulaC19H25F2N3O3
Molecular Weight381.42 g/mol
Exact Mass381.19
IUPAC NameN-butyl-N-(2,6-dioxopiperidin-3-yl)-3,6-difluoro-7-methyl-4-(methylamino)cyclohepta-1,3,6-triene-1-carboxamide
SMILESCCCCN(C(=O)C1=CC(F)=C(NC)CC(F)=C1C)C1CCC(=O)NC1=O
InChIInChI=1S/C19H25F2N3O3/c1-4-5-8-24(16-6-7-17(25)23-18(16)26)19(27)12-9-14(21)15(22-3)10-13(20)11(12)2/h9,16,22H,4-8,10H2,1-3H3,(H,23,25,26)
InChIKeyFXLPHIXLVDNOLN-UHFFFAOYSA-N
XLogP2.39
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-butyl-N-(2,6-dioxopiperidin-3-yl)-3,6-difluoro-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

(2S)-N-(2,2-difluoroethyl)-1-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)piperidine-2-carboxamide
CID 137994880
7,7,7-trifluoro-6-methyl-2-methylidene-N-(2-oxopiperidin-3-yl)hepta-3,5-dienamide
CID 123266509
3-(4-ethenyl-5-oxo-3-prop-1-en-2-yl-2H-pyrrol-1-yl)-3-fluoropiperidine-2,6-dione
CID 142305948
3-[3-[(Z)-but-2-en-2-yl]-4-(1-fluoroethenyl)-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione
CID 142305955
3-[3-[(Z)-but-2-en-2-yl]-4-ethenyl-5-oxo-2H-pyrrol-1-yl]-3-fluoropiperidine-2,6-dione
CID 145382042
(3S)-3-[(4Z)-4-[(E)-1-amino-3-fluorobut-2-enylidene]-3-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione
CID 154980430
2-(2,6-Dioxopiperidin-3-yl)-7-fluoro-5,5-dimethylcyclohepta[c]pyrrole-1,3-dione
CID 155357553
3-[3-[(1Z)-3-fluorobuta-1,3-dienyl]-4-methyl-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
CID 155468820
3-[5-oxo-4-[(1E)-2-(trifluoromethyl)buta-1,3-dienyl]-2H-pyrrol-1-yl]piperidine-2,6-dione
CID 156793781
(3E,4Z)-3-ethylidene-4-(1-fluoroethylidene)-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrolidine-2,5-dione
CID 163267810
(3E,4Z)-3-ethylidene-4-(1-fluoropropylidene)-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrolidine-2,5-dione
CID 163267951
(2E,3Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidene-5-fluoro-N-formyl-3-methylhexa-3,5-dienamide
CID 166940900

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2,6-dioxopiperidin-3-yl)-3,6-difluoro-7-methyl-4-(methylamino)cyclohepta-1,3,6-triene-1-carboxamide?
The IUPAC name of N-butyl-N-(2,6-dioxopiperidin-3-yl)-3,6-difluoro-7-methyl-4-(methylamino)cyclohepta-1,3,6-triene-1-carboxamide (CID 175630919) is N-butyl-N-(2,6-dioxopiperidin-3-yl)-3,6-difluoro-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)-3,6-difluoro-7-methyl-4-(methylamino)cyclohepta-1,3,6-triene-1-carboxamide?
The canonical SMILES for N-butyl-N-(2,6-dioxopiperidin-3-yl)-3,6-difluoro-7-methyl-4-(methylamino)cyclohepta-1,3,6-triene-1-carboxamide is CCCCN(C(=O)C1=CC(F)=C(NC)CC(F)=C1C)C1CCC(=O)NC1=O.
What is the InChIKey of N-butyl-N-(2,6-dioxopiperidin-3-yl)-3,6-difluoro-7-methyl-4-(methylamino)cyclohepta-1,3,6-triene-1-carboxamide?
The InChIKey is FXLPHIXLVDNOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N3O3/c1-4-5-8-24(16-6-7-17(25)23-18(16)26)19(27)12-9-14(21)15(22-3)10-13(20)11(12)2/h9,16,22H,4-8,10H2,1-3H3,(H,23,25,26).
What are the key properties of N-butyl-N-(2,6-dioxopiperidin-3-yl)-3,6-difluoro-7-methyl-4-(methylamino)cyclohepta-1,3,6-triene-1-carboxamide?
N-butyl-N-(2,6-dioxopiperidin-3-yl)-3,6-difluoro-7-methyl-4-(methylamino)cyclohepta-1,3,6-triene-1-carboxamide has a molecular weight of 381.42 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2,6-dioxopiperidin-3-yl)-3,6-difluoro-7-methyl-4-(methylamino)cyclohepta-1,3,6-triene-1-carboxamide is sourced from PubChem (CID 175630919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).