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

C23H24FN3O3 — CID 53149299

IUPAC(2,3-dimethoxyphenyl)-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCC(c3cnn(-c4cccc(F)c4)c3)CC2)c1OC
InChIInChI=1S/C23H24FN3O3/c1-29-21-8-4-7-20(22(21)30-2)23(28)26-11-9-16(10-12-26)17-14-25-27(15-17)19-6-3-5-18(24)13-19/h3-8,13-16H,9-12H2,1-2H3
InChIKeyKODOUNHMFZJYGF-UHFFFAOYSA-N
MW409.46 g/mol
LogP4.05
Rot. Bonds5

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

(2,3-dimethoxyphenyl)-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone (PubChem CID 53149299) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is (2,3-dimethoxyphenyl)-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethoxyphenyl)-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone
PubChem CID53149299
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC Name(2,3-dimethoxyphenyl)-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCC(c3cnn(-c4cccc(F)c4)c3)CC2)c1OC
InChIInChI=1S/C23H24FN3O3/c1-29-21-8-4-7-20(22(21)30-2)23(28)26-11-9-16(10-12-26)17-14-25-27(15-17)19-6-3-5-18(24)13-19/h3-8,13-16H,9-12H2,1-2H3
InChIKeyKODOUNHMFZJYGF-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethoxyphenyl)-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone?
The IUPAC name of (2,3-dimethoxyphenyl)-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone (CID 53149299) is (2,3-dimethoxyphenyl)-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2,3-dimethoxyphenyl)-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2,3-dimethoxyphenyl)-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone is COc1cccc(C(=O)N2CCC(c3cnn(-c4cccc(F)c4)c3)CC2)c1OC.
What is the InChIKey of (2,3-dimethoxyphenyl)-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone?
The InChIKey is KODOUNHMFZJYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3/c1-29-21-8-4-7-20(22(21)30-2)23(28)26-11-9-16(10-12-26)17-14-25-27(15-17)19-6-3-5-18(24)13-19/h3-8,13-16H,9-12H2,1-2H3.
What are the key properties of (2,3-dimethoxyphenyl)-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone?
(2,3-dimethoxyphenyl)-[4-[1-(3-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-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 53149299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).