(3-fluoro-4-methoxyphenyl)-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanone

C20H24FN3O2 — CID 56877908

IUPAC(3-fluoro-4-methoxyphenyl)-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanone
SMILESCOc1ccc(C(=O)C2CCCN(c3cc(C(C)C)ncn3)C2)cc1F
InChIInChI=1S/C20H24FN3O2/c1-13(2)17-10-19(23-12-22-17)24-8-4-5-15(11-24)20(25)14-6-7-18(26-3)16(21)9-14/h6-7,9-10,12-13,15H,4-5,8,11H2,1-3H3
InChIKeyQGZARNHAFNEYIG-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.85
Rot. Bonds5

About (3-fluoro-4-methoxyphenyl)-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanone

(3-fluoro-4-methoxyphenyl)-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanone (PubChem CID 56877908) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanone
PubChem CID56877908
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name(3-fluoro-4-methoxyphenyl)-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanone
SMILESCOc1ccc(C(=O)C2CCCN(c3cc(C(C)C)ncn3)C2)cc1F
InChIInChI=1S/C20H24FN3O2/c1-13(2)17-10-19(23-12-22-17)24-8-4-5-15(11-24)20(25)14-6-7-18(26-3)16(21)9-14/h6-7,9-10,12-13,15H,4-5,8,11H2,1-3H3
InChIKeyQGZARNHAFNEYIG-UHFFFAOYSA-N
XLogP3.85
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-fluoro-4-methoxyphenyl)-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-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 (3-fluoro-4-methoxyphenyl)-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanone?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanone (CID 56877908) is (3-fluoro-4-methoxyphenyl)-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanone.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanone?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanone is COc1ccc(C(=O)C2CCCN(c3cc(C(C)C)ncn3)C2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanone?
The InChIKey is QGZARNHAFNEYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-13(2)17-10-19(23-12-22-17)24-8-4-5-15(11-24)20(25)14-6-7-18(26-3)16(21)9-14/h6-7,9-10,12-13,15H,4-5,8,11H2,1-3H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanone?
(3-fluoro-4-methoxyphenyl)-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanone has a molecular weight of 357.43 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanone is sourced from PubChem (CID 56877908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).