2-(4-methoxyphenyl)-1-[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone

C24H26N4O2 — CID 16669839

IUPAC2-(4-methoxyphenyl)-1-[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCC(c3nc(C)ncc3-c3ccncc3)CC2)cc1
InChIInChI=1S/C24H26N4O2/c1-17-26-16-22(19-7-11-25-12-8-19)24(27-17)20-9-13-28(14-10-20)23(29)15-18-3-5-21(30-2)6-4-18/h3-8,11-12,16,20H,9-10,13-15H2,1-2H3
InChIKeyMCAPFPHGOZTZRN-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.80
Rot. Bonds5

About 2-(4-methoxyphenyl)-1-[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone

2-(4-methoxyphenyl)-1-[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone (PubChem CID 16669839) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
PubChem CID16669839
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name2-(4-methoxyphenyl)-1-[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCC(c3nc(C)ncc3-c3ccncc3)CC2)cc1
InChIInChI=1S/C24H26N4O2/c1-17-26-16-22(19-7-11-25-12-8-19)24(27-17)20-9-13-28(14-10-20)23(29)15-18-3-5-21(30-2)6-4-18/h3-8,11-12,16,20H,9-10,13-15H2,1-2H3
InChIKeyMCAPFPHGOZTZRN-UHFFFAOYSA-N
XLogP3.80
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-methoxyphenyl)-1-[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone 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-(4-methoxyphenyl)-1-[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-methoxyphenyl)-1-[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone (CID 16669839) is 2-(4-methoxyphenyl)-1-[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-methoxyphenyl)-1-[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone is COc1ccc(CC(=O)N2CCC(c3nc(C)ncc3-c3ccncc3)CC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone?
The InChIKey is MCAPFPHGOZTZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-17-26-16-22(19-7-11-25-12-8-19)24(27-17)20-9-13-28(14-10-20)23(29)15-18-3-5-21(30-2)6-4-18/h3-8,11-12,16,20H,9-10,13-15H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-1-[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone?
2-(4-methoxyphenyl)-1-[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone has a molecular weight of 402.50 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 16669839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).