N-[4-(4-fluorophenyl)-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]acetamide

C25H27FN4O2 — CID 46955109

IUPACN-[4-(4-fluorophenyl)-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]acetamide
SMILESCOc1ccc(-c2ncc(CN3CCC(NC(C)=O)(c4ccc(F)cc4)CC3)cn2)cc1
InChIInChI=1S/C25H27FN4O2/c1-18(31)29-25(21-5-7-22(26)8-6-21)11-13-30(14-12-25)17-19-15-27-24(28-16-19)20-3-9-23(32-2)10-4-20/h3-10,15-16H,11-14,17H2,1-2H3,(H,29,31)
InChIKeyWXEDXILTYQLSQI-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.92
Rot. Bonds6

About N-[4-(4-fluorophenyl)-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]acetamide

N-[4-(4-fluorophenyl)-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]acetamide (PubChem CID 46955109) has the molecular formula C25H27FN4O2 and a molecular weight of 434.52 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]acetamide
PubChem CID46955109
Molecular FormulaC25H27FN4O2
Molecular Weight434.52 g/mol
Exact Mass434.21
IUPAC NameN-[4-(4-fluorophenyl)-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]acetamide
SMILESCOc1ccc(-c2ncc(CN3CCC(NC(C)=O)(c4ccc(F)cc4)CC3)cn2)cc1
InChIInChI=1S/C25H27FN4O2/c1-18(31)29-25(21-5-7-22(26)8-6-21)11-13-30(14-12-25)17-19-15-27-24(28-16-19)20-3-9-23(32-2)10-4-20/h3-10,15-16H,11-14,17H2,1-2H3,(H,29,31)
InChIKeyWXEDXILTYQLSQI-UHFFFAOYSA-N
XLogP3.92
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[4-(4-fluorophenyl)-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]acetamide (CID 46955109) is N-[4-(4-fluorophenyl)-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]acetamide is COc1ccc(-c2ncc(CN3CCC(NC(C)=O)(c4ccc(F)cc4)CC3)cn2)cc1.
What is the InChIKey of N-[4-(4-fluorophenyl)-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]acetamide?
The InChIKey is WXEDXILTYQLSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O2/c1-18(31)29-25(21-5-7-22(26)8-6-21)11-13-30(14-12-25)17-19-15-27-24(28-16-19)20-3-9-23(32-2)10-4-20/h3-10,15-16H,11-14,17H2,1-2H3,(H,29,31).
What are the key properties of N-[4-(4-fluorophenyl)-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]acetamide?
N-[4-(4-fluorophenyl)-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]acetamide has a molecular weight of 434.52 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 46955109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).