3-[3-fluoro-4-(1-propylpiperidin-4-yl)anilino]piperidine-2,6-dione

C19H26FN3O2 — CID 168856935

IUPAC3-[3-fluoro-4-(1-propylpiperidin-4-yl)anilino]piperidine-2,6-dione
SMILESCCCN1CCC(c2ccc(NC3CCC(=O)NC3=O)cc2F)CC1
InChIInChI=1S/C19H26FN3O2/c1-2-9-23-10-7-13(8-11-23)15-4-3-14(12-16(15)20)21-17-5-6-18(24)22-19(17)25/h3-4,12-13,17,21H,2,5-11H2,1H3,(H,22,24,25)
InChIKeyNLNCDWSHGDHNLZ-UHFFFAOYSA-N
MW347.43 g/mol
LogP2.63
Rot. Bonds5

About 3-[3-fluoro-4-(1-propylpiperidin-4-yl)anilino]piperidine-2,6-dione

3-[3-fluoro-4-(1-propylpiperidin-4-yl)anilino]piperidine-2,6-dione (PubChem CID 168856935) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is 3-[3-fluoro-4-(1-propylpiperidin-4-yl)anilino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-fluoro-4-(1-propylpiperidin-4-yl)anilino]piperidine-2,6-dione
PubChem CID168856935
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Name3-[3-fluoro-4-(1-propylpiperidin-4-yl)anilino]piperidine-2,6-dione
SMILESCCCN1CCC(c2ccc(NC3CCC(=O)NC3=O)cc2F)CC1
InChIInChI=1S/C19H26FN3O2/c1-2-9-23-10-7-13(8-11-23)15-4-3-14(12-16(15)20)21-17-5-6-18(24)22-19(17)25/h3-4,12-13,17,21H,2,5-11H2,1H3,(H,22,24,25)
InChIKeyNLNCDWSHGDHNLZ-UHFFFAOYSA-N
XLogP2.63
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
3-[3-methyl-4-(1-methylpiperidin-4-yl)anilino]piperidine-2,6-dione
CID 166468153
3-[4-(diethylamino)-3-fluoroanilino]piperidine-2,6-dione
CID 172590343
ethane;3-(3-fluoro-4-propan-2-ylanilino)piperidine-2,6-dione
CID 170749603
4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-N-(1-formylpiperidin-4-yl)-N-methylpiperidine-1-carboxamide
CID 166729573
2-[4-[2-(difluoromethyl)-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetic acid
CID 156515724
3-[4-(3,3-difluoropiperidin-4-yl)-3-fluoroanilino]piperidine-2,6-dione
CID 166168180
3-[3-[1-(6-aminohexyl)piperidin-4-yl]anilino]piperidine-2,6-dione
CID 170749885
5-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperazin-1-yl]pentanoic acid
CID 171637309
3-[4-(3,3-difluoropiperidin-4-yl)-3-fluoroanilino]piperidine-2,6-dione;hydrochloride
CID 166168179
(3S)-3-[3-fluoro-4-[(3S,4S)-3-methoxypiperidin-4-yl]anilino]piperidine-2,6-dione
CID 166168100

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-(1-propylpiperidin-4-yl)anilino]piperidine-2,6-dione?
The IUPAC name of 3-[3-fluoro-4-(1-propylpiperidin-4-yl)anilino]piperidine-2,6-dione (CID 168856935) is 3-[3-fluoro-4-(1-propylpiperidin-4-yl)anilino]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-fluoro-4-(1-propylpiperidin-4-yl)anilino]piperidine-2,6-dione?
The canonical SMILES for 3-[3-fluoro-4-(1-propylpiperidin-4-yl)anilino]piperidine-2,6-dione is CCCN1CCC(c2ccc(NC3CCC(=O)NC3=O)cc2F)CC1.
What is the InChIKey of 3-[3-fluoro-4-(1-propylpiperidin-4-yl)anilino]piperidine-2,6-dione?
The InChIKey is NLNCDWSHGDHNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-2-9-23-10-7-13(8-11-23)15-4-3-14(12-16(15)20)21-17-5-6-18(24)22-19(17)25/h3-4,12-13,17,21H,2,5-11H2,1H3,(H,22,24,25).
What are the key properties of 3-[3-fluoro-4-(1-propylpiperidin-4-yl)anilino]piperidine-2,6-dione?
3-[3-fluoro-4-(1-propylpiperidin-4-yl)anilino]piperidine-2,6-dione has a molecular weight of 347.43 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-4-(1-propylpiperidin-4-yl)anilino]piperidine-2,6-dione is sourced from PubChem (CID 168856935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).