N-(2,6-dioxopiperidin-3-yl)-6-fluoro-9,9-dimethyl-8-oxa-9-azoniabicyclo[5.2.0]nona-1,3,5-triene-4-carboxamide

C15H17FN3O4+ — CID 166077513

IUPACN-(2,6-dioxopiperidin-3-yl)-6-fluoro-9,9-dimethyl-8-oxa-9-azoniabicyclo[5.2.0]nona-1,3,5-triene-4-carboxamide
SMILESC[N+]1(C)OC2C(F)=CC(C(=O)NC3CCC(=O)NC3=O)=CC=C21
InChIInChI=1S/C15H16FN3O4/c1-19(2)11-5-3-8(7-9(16)13(11)23-19)14(21)17-10-4-6-12(20)18-15(10)22/h3,5,7,10,13H,4,6H2,1-2H3,(H-,17,18,20,21,22)/p+1
InChIKeySZHVKJKGEXGMMP-UHFFFAOYSA-O
MW322.32 g/mol
LogP-0.02
Rot. Bonds2

About N-(2,6-dioxopiperidin-3-yl)-6-fluoro-9,9-dimethyl-8-oxa-9-azoniabicyclo[5.2.0]nona-1,3,5-triene-4-carboxamide

N-(2,6-dioxopiperidin-3-yl)-6-fluoro-9,9-dimethyl-8-oxa-9-azoniabicyclo[5.2.0]nona-1,3,5-triene-4-carboxamide (PubChem CID 166077513) has the molecular formula C15H17FN3O4+ and a molecular weight of 322.32 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-6-fluoro-9,9-dimethyl-8-oxa-9-azoniabicyclo[5.2.0]nona-1,3,5-triene-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-6-fluoro-9,9-dimethyl-8-oxa-9-azoniabicyclo[5.2.0]nona-1,3,5-triene-4-carboxamide
PubChem CID166077513
Molecular FormulaC15H17FN3O4+
Molecular Weight322.32 g/mol
Exact Mass322.12
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-6-fluoro-9,9-dimethyl-8-oxa-9-azoniabicyclo[5.2.0]nona-1,3,5-triene-4-carboxamide
SMILESC[N+]1(C)OC2C(F)=CC(C(=O)NC3CCC(=O)NC3=O)=CC=C21
InChIInChI=1S/C15H16FN3O4/c1-19(2)11-5-3-8(7-9(16)13(11)23-19)14(21)17-10-4-6-12(20)18-15(10)22/h3,5,7,10,13H,4,6H2,1-2H3,(H-,17,18,20,21,22)/p+1
InChIKeySZHVKJKGEXGMMP-UHFFFAOYSA-O
XLogP-0.02
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze N-(2,6-dioxopiperidin-3-yl)-6-fluoro-9,9-dimethyl-8-oxa-9-azoniabicyclo[5.2.0]nona-1,3,5-triene-4-carboxamide with MolForge

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Related Compounds

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
N-(2,6-dioxopiperidin-3-yl)-3-methylcyclohexa-1,5-diene-1-carboxamide
CID 166078027
N-(2,6-dioxopiperidin-3-yl)-5-fluoropyridine-3-carboxamide
CID 115747901
N-[(3S)-2,6-dioxopiperidin-3-yl]pyrimidine-2-carboxamide
CID 156797860
5-tert-butyl-N-(2,6-dioxopiperidin-3-yl)cyclohepta-1,3,6-triene-1-carboxamide
CID 170003318
4-amino-N-[(3R)-2,6-dioxopiperidin-3-yl]-3-methylcyclohepta-1,3,6-triene-1-carboxamide
CID 166077676
4-chloro-N-[(3R)-2,6-dioxopiperidin-3-yl]benzamide
CID 2363882
2-acetyl-N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 144714237
N-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methoxybenzamide
CID 81285163
N-(2,6-dioxopiperidin-3-yl)-2-fluoro-4-propan-2-ylbenzamide;ethane
CID 170749929
4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-2,6-difluorocyclohepta-1,3,6-triene-1-carboxamide
CID 166077673

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-6-fluoro-9,9-dimethyl-8-oxa-9-azoniabicyclo[5.2.0]nona-1,3,5-triene-4-carboxamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-6-fluoro-9,9-dimethyl-8-oxa-9-azoniabicyclo[5.2.0]nona-1,3,5-triene-4-carboxamide (CID 166077513) is N-(2,6-dioxopiperidin-3-yl)-6-fluoro-9,9-dimethyl-8-oxa-9-azoniabicyclo[5.2.0]nona-1,3,5-triene-4-carboxamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-6-fluoro-9,9-dimethyl-8-oxa-9-azoniabicyclo[5.2.0]nona-1,3,5-triene-4-carboxamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-6-fluoro-9,9-dimethyl-8-oxa-9-azoniabicyclo[5.2.0]nona-1,3,5-triene-4-carboxamide is C[N+]1(C)OC2C(F)=CC(C(=O)NC3CCC(=O)NC3=O)=CC=C21.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-6-fluoro-9,9-dimethyl-8-oxa-9-azoniabicyclo[5.2.0]nona-1,3,5-triene-4-carboxamide?
The InChIKey is SZHVKJKGEXGMMP-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H16FN3O4/c1-19(2)11-5-3-8(7-9(16)13(11)23-19)14(21)17-10-4-6-12(20)18-15(10)22/h3,5,7,10,13H,4,6H2,1-2H3,(H-,17,18,20,21,22)/p+1.
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-6-fluoro-9,9-dimethyl-8-oxa-9-azoniabicyclo[5.2.0]nona-1,3,5-triene-4-carboxamide?
N-(2,6-dioxopiperidin-3-yl)-6-fluoro-9,9-dimethyl-8-oxa-9-azoniabicyclo[5.2.0]nona-1,3,5-triene-4-carboxamide has a molecular weight of 322.32 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-6-fluoro-9,9-dimethyl-8-oxa-9-azoniabicyclo[5.2.0]nona-1,3,5-triene-4-carboxamide is sourced from PubChem (CID 166077513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).