N-[6-[(2,6-dioxopiperidin-3-yl)-methylamino]-2-fluoro-3-propan-2-ylcyclohexa-2,4-dien-1-yl]-N-methylformamide

C17H24FN3O3 — CID 170952079

IUPACN-[6-[(2,6-dioxopiperidin-3-yl)-methylamino]-2-fluoro-3-propan-2-ylcyclohexa-2,4-dien-1-yl]-N-methylformamide
SMILESCC(C)C1=C(F)C(N(C)C=O)C(N(C)C2CCC(=O)NC2=O)C=C1
InChIInChI=1S/C17H24FN3O3/c1-10(2)11-5-6-12(16(15(11)18)20(3)9-22)21(4)13-7-8-14(23)19-17(13)24/h5-6,9-10,12-13,16H,7-8H2,1-4H3,(H,19,23,24)
InChIKeyVNBGSGNBTAZGFM-UHFFFAOYSA-N
MW337.40 g/mol
LogP1.00
Rot. Bonds5

About N-[6-[(2,6-dioxopiperidin-3-yl)-methylamino]-2-fluoro-3-propan-2-ylcyclohexa-2,4-dien-1-yl]-N-methylformamide

N-[6-[(2,6-dioxopiperidin-3-yl)-methylamino]-2-fluoro-3-propan-2-ylcyclohexa-2,4-dien-1-yl]-N-methylformamide (PubChem CID 170952079) has the molecular formula C17H24FN3O3 and a molecular weight of 337.40 g/mol. Its IUPAC name is N-[6-[(2,6-dioxopiperidin-3-yl)-methylamino]-2-fluoro-3-propan-2-ylcyclohexa-2,4-dien-1-yl]-N-methylformamide.

Molecular Properties

Compound NameN-[6-[(2,6-dioxopiperidin-3-yl)-methylamino]-2-fluoro-3-propan-2-ylcyclohexa-2,4-dien-1-yl]-N-methylformamide
PubChem CID170952079
Molecular FormulaC17H24FN3O3
Molecular Weight337.40 g/mol
Exact Mass337.18
IUPAC NameN-[6-[(2,6-dioxopiperidin-3-yl)-methylamino]-2-fluoro-3-propan-2-ylcyclohexa-2,4-dien-1-yl]-N-methylformamide
SMILESCC(C)C1=C(F)C(N(C)C=O)C(N(C)C2CCC(=O)NC2=O)C=C1
InChIInChI=1S/C17H24FN3O3/c1-10(2)11-5-6-12(16(15(11)18)20(3)9-22)21(4)13-7-8-14(23)19-17(13)24/h5-6,9-10,12-13,16H,7-8H2,1-4H3,(H,19,23,24)
InChIKeyVNBGSGNBTAZGFM-UHFFFAOYSA-N
XLogP1.00
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[6-[(2,6-dioxopiperidin-3-yl)-methylamino]-2-fluoro-3-propan-2-ylcyclohexa-2,4-dien-1-yl]-N-methylformamide 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

3-(4-ethenyl-5-oxo-3-prop-1-en-2-yl-2H-pyrrol-1-yl)-3-fluoropiperidine-2,6-dione
CID 142305948
(2E)-N-(2,6-dioxopiperidin-3-yl)-2-(1-fluoroethenyl)-3-formyl-N,4-dimethylpenta-2,4-dienamide
CID 142305954
3-[3-[(Z)-but-2-en-2-yl]-4-(1-fluoroethenyl)-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione
CID 142305955
(2Z,3E)-N-(2,6-dioxopiperidin-3-yl)-2-(1-fluoroethylidene)-3-formyl-N-methylhexa-3,5-dienamide
CID 142616415
3-[3-[(Z)-but-2-en-2-yl]-4-ethenyl-5-oxo-2H-pyrrol-1-yl]-3-fluoropiperidine-2,6-dione
CID 145382042
3-[3-[(1Z)-3-fluorobuta-1,3-dienyl]-4-methyl-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
CID 155468820
2-(2,6-Dioxopiperidin-3-yl)-4-fluoro-4,5-dihydroisoindole-1,3-dione
CID 163573302
3-(6-fluoro-7-methyl-3-oxo-3a,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione
CID 166683056
(2E,3Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidene-5-fluoro-N-formyl-3-methylhexa-3,5-dienamide
CID 166940900
(3Z,5E)-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-N-formyl-3-methyl-2-methylidenehepta-3,5-dienamide
CID 169834730
3-[(6S)-5-fluoro-7-iodo-6-methyl-3-oxo-6,7-dihydro-1H-isoindol-2-yl]piperidine-2,6-dione
CID 169909942
(Z)-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2,7-trifluoro-7-methyl-3,6-dimethylideneoct-4-enamide
CID 170312456

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2,6-dioxopiperidin-3-yl)-methylamino]-2-fluoro-3-propan-2-ylcyclohexa-2,4-dien-1-yl]-N-methylformamide?
The IUPAC name of N-[6-[(2,6-dioxopiperidin-3-yl)-methylamino]-2-fluoro-3-propan-2-ylcyclohexa-2,4-dien-1-yl]-N-methylformamide (CID 170952079) is N-[6-[(2,6-dioxopiperidin-3-yl)-methylamino]-2-fluoro-3-propan-2-ylcyclohexa-2,4-dien-1-yl]-N-methylformamide.
What is the SMILES notation for N-[6-[(2,6-dioxopiperidin-3-yl)-methylamino]-2-fluoro-3-propan-2-ylcyclohexa-2,4-dien-1-yl]-N-methylformamide?
The canonical SMILES for N-[6-[(2,6-dioxopiperidin-3-yl)-methylamino]-2-fluoro-3-propan-2-ylcyclohexa-2,4-dien-1-yl]-N-methylformamide is CC(C)C1=C(F)C(N(C)C=O)C(N(C)C2CCC(=O)NC2=O)C=C1.
What is the InChIKey of N-[6-[(2,6-dioxopiperidin-3-yl)-methylamino]-2-fluoro-3-propan-2-ylcyclohexa-2,4-dien-1-yl]-N-methylformamide?
The InChIKey is VNBGSGNBTAZGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O3/c1-10(2)11-5-6-12(16(15(11)18)20(3)9-22)21(4)13-7-8-14(23)19-17(13)24/h5-6,9-10,12-13,16H,7-8H2,1-4H3,(H,19,23,24).
What are the key properties of N-[6-[(2,6-dioxopiperidin-3-yl)-methylamino]-2-fluoro-3-propan-2-ylcyclohexa-2,4-dien-1-yl]-N-methylformamide?
N-[6-[(2,6-dioxopiperidin-3-yl)-methylamino]-2-fluoro-3-propan-2-ylcyclohexa-2,4-dien-1-yl]-N-methylformamide has a molecular weight of 337.40 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2,6-dioxopiperidin-3-yl)-methylamino]-2-fluoro-3-propan-2-ylcyclohexa-2,4-dien-1-yl]-N-methylformamide is sourced from PubChem (CID 170952079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).