3-[4-(3,3-difluoropiperidin-4-yl)-3-fluoroanilino]piperidine-2,6-dione;hydrochloride

C16H19ClF3N3O2 — CID 166168179

IUPAC3-[4-(3,3-difluoropiperidin-4-yl)-3-fluoroanilino]piperidine-2,6-dione;hydrochloride
SMILESCl.O=C1CCC(Nc2ccc(C3CCNCC3(F)F)c(F)c2)C(=O)N1
InChIInChI=1S/C16H18F3N3O2.ClH/c17-12-7-9(21-13-3-4-14(23)22-15(13)24)1-2-10(12)11-5-6-20-8-16(11,18)19;/h1-2,7,11,13,20-21H,3-6,8H2,(H,22,23,24);1H
InChIKeyASPPJRWDFJHHCK-UHFFFAOYSA-N
MW377.79 g/mol
LogP2.18
Rot. Bonds3

About 3-[4-(3,3-difluoropiperidin-4-yl)-3-fluoroanilino]piperidine-2,6-dione;hydrochloride

3-[4-(3,3-difluoropiperidin-4-yl)-3-fluoroanilino]piperidine-2,6-dione;hydrochloride (PubChem CID 166168179) has the molecular formula C16H19ClF3N3O2 and a molecular weight of 377.79 g/mol. Its IUPAC name is 3-[4-(3,3-difluoropiperidin-4-yl)-3-fluoroanilino]piperidine-2,6-dione;hydrochloride.

Molecular Properties

Compound Name3-[4-(3,3-difluoropiperidin-4-yl)-3-fluoroanilino]piperidine-2,6-dione;hydrochloride
PubChem CID166168179
Molecular FormulaC16H19ClF3N3O2
Molecular Weight377.79 g/mol
Exact Mass377.11
IUPAC Name3-[4-(3,3-difluoropiperidin-4-yl)-3-fluoroanilino]piperidine-2,6-dione;hydrochloride
SMILESCl.O=C1CCC(Nc2ccc(C3CCNCC3(F)F)c(F)c2)C(=O)N1
InChIInChI=1S/C16H18F3N3O2.ClH/c17-12-7-9(21-13-3-4-14(23)22-15(13)24)1-2-10(12)11-5-6-20-8-16(11,18)19;/h1-2,7,11,13,20-21H,3-6,8H2,(H,22,23,24);1H
InChIKeyASPPJRWDFJHHCK-UHFFFAOYSA-N
XLogP2.18
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.79
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(3,3-difluoropiperidin-4-yl)-3-fluoroanilino]piperidine-2,6-dione
CID 166168180
(3S)-3-[3-fluoro-4-[(3S,4S)-3-methoxypiperidin-4-yl]anilino]piperidine-2,6-dione
CID 166168100
ethane;3-(3-fluoro-4-propan-2-ylanilino)piperidine-2,6-dione
CID 170749603
3-[3-fluoro-4-(1-propylpiperidin-4-yl)anilino]piperidine-2,6-dione
CID 168856935
3-[3-fluoro-4-[4-(piperidine-4-carbonyl)piperazin-1-yl]anilino]piperidine-2,6-dione;hydrochloride
CID 178082091
3-[(5-fluoro-3-pyridinyl)amino]piperidine-2,6-dione
CID 166472267
3-[4-[1-(4-aminocyclohexyl)piperidin-4-yl]-3-fluoroanilino]piperidine-2,6-dione
CID 172591564
tert-butyl 4-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-2-fluorophenyl]piperidine-1-carboxylate
CID 156505960
[5-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]carbamic acid
CID 154941373
(3S)-3-(4-piperidin-4-ylanilino)piperidine-2,6-dione
CID 166899562
3-[4-(diethylamino)-3-fluoroanilino]piperidine-2,6-dione
CID 172590343
(3S)-3-(3-fluoro-2-piperidin-4-ylanilino)piperidine-2,6-dione;hydrochloride
CID 170728957

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,3-difluoropiperidin-4-yl)-3-fluoroanilino]piperidine-2,6-dione;hydrochloride?
The IUPAC name of 3-[4-(3,3-difluoropiperidin-4-yl)-3-fluoroanilino]piperidine-2,6-dione;hydrochloride (CID 166168179) is 3-[4-(3,3-difluoropiperidin-4-yl)-3-fluoroanilino]piperidine-2,6-dione;hydrochloride.
What is the SMILES notation for 3-[4-(3,3-difluoropiperidin-4-yl)-3-fluoroanilino]piperidine-2,6-dione;hydrochloride?
The canonical SMILES for 3-[4-(3,3-difluoropiperidin-4-yl)-3-fluoroanilino]piperidine-2,6-dione;hydrochloride is Cl.O=C1CCC(Nc2ccc(C3CCNCC3(F)F)c(F)c2)C(=O)N1.
What is the InChIKey of 3-[4-(3,3-difluoropiperidin-4-yl)-3-fluoroanilino]piperidine-2,6-dione;hydrochloride?
The InChIKey is ASPPJRWDFJHHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O2.ClH/c17-12-7-9(21-13-3-4-14(23)22-15(13)24)1-2-10(12)11-5-6-20-8-16(11,18)19;/h1-2,7,11,13,20-21H,3-6,8H2,(H,22,23,24);1H.
What are the key properties of 3-[4-(3,3-difluoropiperidin-4-yl)-3-fluoroanilino]piperidine-2,6-dione;hydrochloride?
3-[4-(3,3-difluoropiperidin-4-yl)-3-fluoroanilino]piperidine-2,6-dione;hydrochloride has a molecular weight of 377.79 g/mol, XLogP of 2.18, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,3-difluoropiperidin-4-yl)-3-fluoroanilino]piperidine-2,6-dione;hydrochloride is sourced from PubChem (CID 166168179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).