ethane;3-(3-fluoro-4-propan-2-ylanilino)piperidine-2,6-dione

C16H23FN2O2 — CID 170749603

IUPACethane;3-(3-fluoro-4-propan-2-ylanilino)piperidine-2,6-dione
SMILESCC.CC(C)c1ccc(NC2CCC(=O)NC2=O)cc1F
InChIInChI=1S/C14H17FN2O2.C2H6/c1-8(2)10-4-3-9(7-11(10)15)16-12-5-6-13(18)17-14(12)19;1-2/h3-4,7-8,12,16H,5-6H2,1-2H3,(H,17,18,19);1-2H3
InChIKeySZGFUGSWAFHCQG-UHFFFAOYSA-N
MW294.37 g/mol
LogP3.19
Rot. Bonds3

About ethane;3-(3-fluoro-4-propan-2-ylanilino)piperidine-2,6-dione

ethane;3-(3-fluoro-4-propan-2-ylanilino)piperidine-2,6-dione (PubChem CID 170749603) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is ethane;3-(3-fluoro-4-propan-2-ylanilino)piperidine-2,6-dione.

Molecular Properties

Compound Nameethane;3-(3-fluoro-4-propan-2-ylanilino)piperidine-2,6-dione
PubChem CID170749603
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Nameethane;3-(3-fluoro-4-propan-2-ylanilino)piperidine-2,6-dione
SMILESCC.CC(C)c1ccc(NC2CCC(=O)NC2=O)cc1F
InChIInChI=1S/C14H17FN2O2.C2H6/c1-8(2)10-4-3-9(7-11(10)15)16-12-5-6-13(18)17-14(12)19;1-2/h3-4,7-8,12,16H,5-6H2,1-2H3,(H,17,18,19);1-2H3
InChIKeySZGFUGSWAFHCQG-UHFFFAOYSA-N
XLogP3.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-(4-propan-2-ylanilino)piperidine-2,6-dione
CID 170749152
3-(3-fluoro-4-propan-2-ylanilino)-6-hydroxypiperidin-2-one
CID 176933779
3-[(5-fluoro-6-propan-2-yl-3-pyridinyl)amino]piperidine-2,6-dione
CID 168793425
3-[4-(diethylamino)-3-fluoroanilino]piperidine-2,6-dione
CID 172590343
3-[3-fluoro-4-(1-propylpiperidin-4-yl)anilino]piperidine-2,6-dione
CID 168856935
molecular hydrogen;3-(4-propan-2-ylanilino)piperidine-2,6-dione
CID 169188670
3-[4-(3,3-difluoropiperidin-4-yl)-3-fluoroanilino]piperidine-2,6-dione
CID 166168180
3-[4-(3,3-difluoropiperidin-4-yl)-3-fluoroanilino]piperidine-2,6-dione;hydrochloride
CID 166168179
[5-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]carbamic acid
CID 154941373
3-(3-chloro-4-ethylanilino)piperidine-2,6-dione;ethane
CID 170749493
tert-butyl 4-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-2-fluorophenyl]piperidine-1-carboxylate
CID 156505960
3-[4-[4-(2,2-dimethoxyethyl)piperidin-1-yl]-3-fluoroanilino]piperidine-2,6-dione
CID 176706048

Frequently Asked Questions

What is the IUPAC name of ethane;3-(3-fluoro-4-propan-2-ylanilino)piperidine-2,6-dione?
The IUPAC name of ethane;3-(3-fluoro-4-propan-2-ylanilino)piperidine-2,6-dione (CID 170749603) is ethane;3-(3-fluoro-4-propan-2-ylanilino)piperidine-2,6-dione.
What is the SMILES notation for ethane;3-(3-fluoro-4-propan-2-ylanilino)piperidine-2,6-dione?
The canonical SMILES for ethane;3-(3-fluoro-4-propan-2-ylanilino)piperidine-2,6-dione is CC.CC(C)c1ccc(NC2CCC(=O)NC2=O)cc1F.
What is the InChIKey of ethane;3-(3-fluoro-4-propan-2-ylanilino)piperidine-2,6-dione?
The InChIKey is SZGFUGSWAFHCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2.C2H6/c1-8(2)10-4-3-9(7-11(10)15)16-12-5-6-13(18)17-14(12)19;1-2/h3-4,7-8,12,16H,5-6H2,1-2H3,(H,17,18,19);1-2H3.
What are the key properties of ethane;3-(3-fluoro-4-propan-2-ylanilino)piperidine-2,6-dione?
ethane;3-(3-fluoro-4-propan-2-ylanilino)piperidine-2,6-dione has a molecular weight of 294.37 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(3-fluoro-4-propan-2-ylanilino)piperidine-2,6-dione is sourced from PubChem (CID 170749603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).