(3S)-3-(3-fluoro-2-piperidin-4-ylanilino)piperidine-2,6-dione;hydrochloride

C16H21ClFN3O2 — CID 170728957

IUPAC(3S)-3-(3-fluoro-2-piperidin-4-ylanilino)piperidine-2,6-dione;hydrochloride
SMILESCl.O=C1CC[C@H](Nc2cccc(F)c2C2CCNCC2)C(=O)N1
InChIInChI=1S/C16H20FN3O2.ClH/c17-11-2-1-3-12(15(11)10-6-8-18-9-7-10)19-13-4-5-14(21)20-16(13)22;/h1-3,10,13,18-19H,4-9H2,(H,20,21,22);1H/t13-;/m0./s1
InChIKeyZPAJFZBESKEQNM-ZOWNYOTGSA-N
MW341.81 g/mol
LogP1.93
Rot. Bonds3

About (3S)-3-(3-fluoro-2-piperidin-4-ylanilino)piperidine-2,6-dione;hydrochloride

(3S)-3-(3-fluoro-2-piperidin-4-ylanilino)piperidine-2,6-dione;hydrochloride (PubChem CID 170728957) has the molecular formula C16H21ClFN3O2 and a molecular weight of 341.81 g/mol. Its IUPAC name is (3S)-3-(3-fluoro-2-piperidin-4-ylanilino)piperidine-2,6-dione;hydrochloride.

Molecular Properties

Compound Name(3S)-3-(3-fluoro-2-piperidin-4-ylanilino)piperidine-2,6-dione;hydrochloride
PubChem CID170728957
Molecular FormulaC16H21ClFN3O2
Molecular Weight341.81 g/mol
Exact Mass341.13
IUPAC Name(3S)-3-(3-fluoro-2-piperidin-4-ylanilino)piperidine-2,6-dione;hydrochloride
SMILESCl.O=C1CC[C@H](Nc2cccc(F)c2C2CCNCC2)C(=O)N1
InChIInChI=1S/C16H20FN3O2.ClH/c17-11-2-1-3-12(15(11)10-6-8-18-9-7-10)19-13-4-5-14(21)20-16(13)22;/h1-3,10,13,18-19H,4-9H2,(H,20,21,22);1H/t13-;/m0./s1
InChIKeyZPAJFZBESKEQNM-ZOWNYOTGSA-N
XLogP1.93
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.81
LogP ≤ 51.93
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-(2-fluoro-4-piperidin-4-ylanilino)piperidine-2,6-dione
CID 156505691
ethane;ethene;3-(2-fluoroanilino)piperidine-2,6-dione;molecular hydrogen
CID 176683577
3-(2-piperazin-1-ylanilino)piperidine-2,6-dione
CID 168896759
3-(2,5-difluoroanilino)piperidine-2,6-dione
CID 170749830
(3S)-3-(4-piperidin-4-ylanilino)piperidine-2,6-dione
CID 166899562
3-[2-(difluoromethoxy)anilino]piperidine-2,6-dione
CID 146573025
3-(4-bromo-2-fluoroanilino)piperidine-2,6-dione
CID 172609781
3-[4-(3,3-difluoropiperidin-4-yl)-3-fluoroanilino]piperidine-2,6-dione;hydrochloride
CID 166168179
3-[4-(3,3-difluoropiperidin-4-yl)-3-fluoroanilino]piperidine-2,6-dione
CID 166168180
3-[(2-methyl-3-oxo-1H-isoindol-4-yl)amino]piperidine-2,6-dione
CID 146573480
3-[3-fluoro-4-[4-(piperidine-4-carbonyl)piperazin-1-yl]anilino]piperidine-2,6-dione;hydrochloride
CID 178082091
3-[(2-piperidin-4-ylpyrimidin-5-yl)amino]piperidine-2,6-dione
CID 166117145

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-fluoro-2-piperidin-4-ylanilino)piperidine-2,6-dione;hydrochloride?
The IUPAC name of (3S)-3-(3-fluoro-2-piperidin-4-ylanilino)piperidine-2,6-dione;hydrochloride (CID 170728957) is (3S)-3-(3-fluoro-2-piperidin-4-ylanilino)piperidine-2,6-dione;hydrochloride.
What is the SMILES notation for (3S)-3-(3-fluoro-2-piperidin-4-ylanilino)piperidine-2,6-dione;hydrochloride?
The canonical SMILES for (3S)-3-(3-fluoro-2-piperidin-4-ylanilino)piperidine-2,6-dione;hydrochloride is Cl.O=C1CC[C@H](Nc2cccc(F)c2C2CCNCC2)C(=O)N1.
What is the InChIKey of (3S)-3-(3-fluoro-2-piperidin-4-ylanilino)piperidine-2,6-dione;hydrochloride?
The InChIKey is ZPAJFZBESKEQNM-ZOWNYOTGSA-N. The full InChI is InChI=1S/C16H20FN3O2.ClH/c17-11-2-1-3-12(15(11)10-6-8-18-9-7-10)19-13-4-5-14(21)20-16(13)22;/h1-3,10,13,18-19H,4-9H2,(H,20,21,22);1H/t13-;/m0./s1.
What are the key properties of (3S)-3-(3-fluoro-2-piperidin-4-ylanilino)piperidine-2,6-dione;hydrochloride?
(3S)-3-(3-fluoro-2-piperidin-4-ylanilino)piperidine-2,6-dione;hydrochloride has a molecular weight of 341.81 g/mol, XLogP of 1.93, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-fluoro-2-piperidin-4-ylanilino)piperidine-2,6-dione;hydrochloride is sourced from PubChem (CID 170728957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).