N-(4-methoxyphenyl)-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide

C24H26N4O2 — CID 648576

IUPACN-(4-methoxyphenyl)-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(c3cc(C)nc(-c4ccccc4)n3)CC2)cc1
InChIInChI=1S/C24H26N4O2/c1-17-16-22(27-23(25-17)18-6-4-3-5-7-18)28-14-12-19(13-15-28)24(29)26-20-8-10-21(30-2)11-9-20/h3-11,16,19H,12-15H2,1-2H3,(H,26,29)
InChIKeyVOXASORLEYEXOW-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.32
Rot. Bonds5

About N-(4-methoxyphenyl)-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide

N-(4-methoxyphenyl)-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 648576) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID648576
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC NameN-(4-methoxyphenyl)-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(c3cc(C)nc(-c4ccccc4)n3)CC2)cc1
InChIInChI=1S/C24H26N4O2/c1-17-16-22(27-23(25-17)18-6-4-3-5-7-18)28-14-12-19(13-15-28)24(29)26-20-8-10-21(30-2)11-9-20/h3-11,16,19H,12-15H2,1-2H3,(H,26,29)
InChIKeyVOXASORLEYEXOW-UHFFFAOYSA-N
XLogP4.32
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-methoxyphenyl)-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide 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 N-(4-methoxyphenyl)-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide (CID 648576) is N-(4-methoxyphenyl)-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(c3cc(C)nc(-c4ccccc4)n3)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is VOXASORLEYEXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-17-16-22(27-23(25-17)18-6-4-3-5-7-18)28-14-12-19(13-15-28)24(29)26-20-8-10-21(30-2)11-9-20/h3-11,16,19H,12-15H2,1-2H3,(H,26,29).
What are the key properties of N-(4-methoxyphenyl)-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide?
N-(4-methoxyphenyl)-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 648576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).