(3,5-dimethylpiperidin-1-yl)-[3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazol-4-yl]methanone

C25H27F2N3O2 — CID 16925835

IUPAC(3,5-dimethylpiperidin-1-yl)-[3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazol-4-yl]methanone
SMILESCC1CC(C)CN(C(=O)c2cn(Cc3cccc(F)c3)nc2OCc2cccc(F)c2)C1
InChIInChI=1S/C25H27F2N3O2/c1-17-9-18(2)13-29(12-17)25(31)23-15-30(14-19-5-3-7-21(26)10-19)28-24(23)32-16-20-6-4-8-22(27)11-20/h3-8,10-11,15,17-18H,9,12-14,16H2,1-2H3
InChIKeyUHEJRKISPGXYOB-UHFFFAOYSA-N
MW439.51 g/mol
LogP4.91
Rot. Bonds6

About (3,5-dimethylpiperidin-1-yl)-[3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazol-4-yl]methanone

(3,5-dimethylpiperidin-1-yl)-[3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazol-4-yl]methanone (PubChem CID 16925835) has the molecular formula C25H27F2N3O2 and a molecular weight of 439.51 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-[3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazol-4-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-[3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazol-4-yl]methanone
PubChem CID16925835
Molecular FormulaC25H27F2N3O2
Molecular Weight439.51 g/mol
Exact Mass439.21
IUPAC Name(3,5-dimethylpiperidin-1-yl)-[3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazol-4-yl]methanone
SMILESCC1CC(C)CN(C(=O)c2cn(Cc3cccc(F)c3)nc2OCc2cccc(F)c2)C1
InChIInChI=1S/C25H27F2N3O2/c1-17-9-18(2)13-29(12-17)25(31)23-15-30(14-19-5-3-7-21(26)10-19)28-24(23)32-16-20-6-4-8-22(27)11-20/h3-8,10-11,15,17-18H,9,12-14,16H2,1-2H3
InChIKeyUHEJRKISPGXYOB-UHFFFAOYSA-N
XLogP4.91
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperidin-1-yl)-[3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazol-4-yl]methanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-[3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazol-4-yl]methanone (CID 16925835) is (3,5-dimethylpiperidin-1-yl)-[3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazol-4-yl]methanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-[3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazol-4-yl]methanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-[3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazol-4-yl]methanone is CC1CC(C)CN(C(=O)c2cn(Cc3cccc(F)c3)nc2OCc2cccc(F)c2)C1.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-[3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazol-4-yl]methanone?
The InChIKey is UHEJRKISPGXYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N3O2/c1-17-9-18(2)13-29(12-17)25(31)23-15-30(14-19-5-3-7-21(26)10-19)28-24(23)32-16-20-6-4-8-22(27)11-20/h3-8,10-11,15,17-18H,9,12-14,16H2,1-2H3.
What are the key properties of (3,5-dimethylpiperidin-1-yl)-[3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazol-4-yl]methanone?
(3,5-dimethylpiperidin-1-yl)-[3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazol-4-yl]methanone has a molecular weight of 439.51 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-[3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazol-4-yl]methanone is sourced from PubChem (CID 16925835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).