(2,3-dimethoxyphenyl)-[4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone

C23H24FN3O3 — CID 53149286

IUPAC(2,3-dimethoxyphenyl)-[4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCC(c3cnn(-c4ccc(F)cc4)c3)CC2)c1OC
InChIInChI=1S/C23H24FN3O3/c1-29-21-5-3-4-20(22(21)30-2)23(28)26-12-10-16(11-13-26)17-14-25-27(15-17)19-8-6-18(24)7-9-19/h3-9,14-16H,10-13H2,1-2H3
InChIKeyUFJMWZPWPILAAD-UHFFFAOYSA-N
MW409.46 g/mol
LogP4.05
Rot. Bonds5

About (2,3-dimethoxyphenyl)-[4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone

(2,3-dimethoxyphenyl)-[4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone (PubChem CID 53149286) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is (2,3-dimethoxyphenyl)-[4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethoxyphenyl)-[4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone
PubChem CID53149286
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC Name(2,3-dimethoxyphenyl)-[4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCC(c3cnn(-c4ccc(F)cc4)c3)CC2)c1OC
InChIInChI=1S/C23H24FN3O3/c1-29-21-5-3-4-20(22(21)30-2)23(28)26-12-10-16(11-13-26)17-14-25-27(15-17)19-8-6-18(24)7-9-19/h3-9,14-16H,10-13H2,1-2H3
InChIKeyUFJMWZPWPILAAD-UHFFFAOYSA-N
XLogP4.05
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,3-dimethoxyphenyl)-[4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone?
The IUPAC name of (2,3-dimethoxyphenyl)-[4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone (CID 53149286) is (2,3-dimethoxyphenyl)-[4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2,3-dimethoxyphenyl)-[4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2,3-dimethoxyphenyl)-[4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone is COc1cccc(C(=O)N2CCC(c3cnn(-c4ccc(F)cc4)c3)CC2)c1OC.
What is the InChIKey of (2,3-dimethoxyphenyl)-[4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone?
The InChIKey is UFJMWZPWPILAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3/c1-29-21-5-3-4-20(22(21)30-2)23(28)26-12-10-16(11-13-26)17-14-25-27(15-17)19-8-6-18(24)7-9-19/h3-9,14-16H,10-13H2,1-2H3.
What are the key properties of (2,3-dimethoxyphenyl)-[4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone?
(2,3-dimethoxyphenyl)-[4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone has a molecular weight of 409.46 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethoxyphenyl)-[4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 53149286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).