4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-2,6-difluorocyclohepta-1,3,6-triene-1-carboxamide

C15H17F2N3O3 — CID 166077673

IUPAC4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-2,6-difluorocyclohepta-1,3,6-triene-1-carboxamide
SMILESCN(C)C1=CC(F)=C(C(=O)NC2CCC(=O)NC2=O)C=C(F)C1
InChIInChI=1S/C15H17F2N3O3/c1-20(2)9-5-8(16)6-10(11(17)7-9)14(22)18-12-3-4-13(21)19-15(12)23/h6-7,12H,3-5H2,1-2H3,(H,18,22)(H,19,21,23)
InChIKeyZYIROMYKVOAQDW-UHFFFAOYSA-N
MW325.32 g/mol
LogP0.83
Rot. Bonds3

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

4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-2,6-difluorocyclohepta-1,3,6-triene-1-carboxamide (PubChem CID 166077673) has the molecular formula C15H17F2N3O3 and a molecular weight of 325.32 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-2,6-difluorocyclohepta-1,3,6-triene-1-carboxamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-2,6-difluorocyclohepta-1,3,6-triene-1-carboxamide
PubChem CID166077673
Molecular FormulaC15H17F2N3O3
Molecular Weight325.32 g/mol
Exact Mass325.12
IUPAC Name4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-2,6-difluorocyclohepta-1,3,6-triene-1-carboxamide
SMILESCN(C)C1=CC(F)=C(C(=O)NC2CCC(=O)NC2=O)C=C(F)C1
InChIInChI=1S/C15H17F2N3O3/c1-20(2)9-5-8(16)6-10(11(17)7-9)14(22)18-12-3-4-13(21)19-15(12)23/h6-7,12H,3-5H2,1-2H3,(H,18,22)(H,19,21,23)
InChIKeyZYIROMYKVOAQDW-UHFFFAOYSA-N
XLogP0.83
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-2,6-difluorocyclohepta-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-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-2,6-difluorocyclohepta-1,3,6-triene-1-carboxamide;tungsten
CID 166077672
4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-6-methoxycyclohepta-1,3,6-triene-1-carboxamide
CID 171846872
N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 156866709
4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-6-propan-2-yloxycyclohepta-1,4,6-triene-1-carboxamide
CID 171846944
N-(2,6-dioxopiperidin-3-yl)-4-fluoro-2-formylbenzamide
CID 134581835
5-amino-N-(2,6-dioxopiperidin-3-yl)-2-fluoro-3-methylbenzamide
CID 103296597
2-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)pyridine-3-carboxamide
CID 110475174
N-(2,6-dioxopiperidin-3-yl)-5-fluoropyridine-3-carboxamide
CID 115747901
N-[(3S)-2,6-dioxopiperidin-3-yl]pyrimidine-2-carboxamide
CID 156797860
N-(2,6-dioxopiperidin-3-yl)-3-phenylbenzamide
CID 138467355
N-(2,6-dioxopiperidin-3-yl)-4,5-difluorocyclohexa-1,5-diene-1-carboxamide;ethane;methanethiol;tungsten
CID 171846804
4-amino-N-(2,6-dioxopiperidin-3-yl)-3,6-difluorocyclohepta-1,4,6-triene-1-carboxamide;tungsten
CID 171846820

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-2,6-difluorocyclohepta-1,3,6-triene-1-carboxamide?
The IUPAC name of 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-2,6-difluorocyclohepta-1,3,6-triene-1-carboxamide (CID 166077673) is 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-2,6-difluorocyclohepta-1,3,6-triene-1-carboxamide.
What is the SMILES notation for 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-2,6-difluorocyclohepta-1,3,6-triene-1-carboxamide?
The canonical SMILES for 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-2,6-difluorocyclohepta-1,3,6-triene-1-carboxamide is CN(C)C1=CC(F)=C(C(=O)NC2CCC(=O)NC2=O)C=C(F)C1.
What is the InChIKey of 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-2,6-difluorocyclohepta-1,3,6-triene-1-carboxamide?
The InChIKey is ZYIROMYKVOAQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O3/c1-20(2)9-5-8(16)6-10(11(17)7-9)14(22)18-12-3-4-13(21)19-15(12)23/h6-7,12H,3-5H2,1-2H3,(H,18,22)(H,19,21,23).
What are the key properties of 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-2,6-difluorocyclohepta-1,3,6-triene-1-carboxamide?
4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-2,6-difluorocyclohepta-1,3,6-triene-1-carboxamide has a molecular weight of 325.32 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-2,6-difluorocyclohepta-1,3,6-triene-1-carboxamide is sourced from PubChem (CID 166077673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).