4-[(3-pyrimidin-5-ylphenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

C27H32N4O2 — CID 57344867

IUPAC4-[(3-pyrimidin-5-ylphenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2ccc(COc3cccc(-c4cncnc4)c3)cc2)CC(C)(C)N1
InChIInChI=1S/C27H32N4O2/c1-26(2)13-23(14-27(3,4)31-26)30-25(32)20-10-8-19(9-11-20)17-33-24-7-5-6-21(12-24)22-15-28-18-29-16-22/h5-12,15-16,18,23,31H,13-14,17H2,1-4H3,(H,30,32)
InChIKeyDRVNSYKBIYBQEB-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.76
Rot. Bonds6

About 4-[(3-pyrimidin-5-ylphenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

4-[(3-pyrimidin-5-ylphenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (PubChem CID 57344867) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is 4-[(3-pyrimidin-5-ylphenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-[(3-pyrimidin-5-ylphenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
PubChem CID57344867
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC Name4-[(3-pyrimidin-5-ylphenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2ccc(COc3cccc(-c4cncnc4)c3)cc2)CC(C)(C)N1
InChIInChI=1S/C27H32N4O2/c1-26(2)13-23(14-27(3,4)31-26)30-25(32)20-10-8-19(9-11-20)17-33-24-7-5-6-21(12-24)22-15-28-18-29-16-22/h5-12,15-16,18,23,31H,13-14,17H2,1-4H3,(H,30,32)
InChIKeyDRVNSYKBIYBQEB-UHFFFAOYSA-N
XLogP4.76
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[3-(4-hydroxyphenyl)phenoxy]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 57344870
4-[(3-piperazin-1-ylphenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679298
4-[[3-(6-amino-3-pyridinyl)phenyl]methoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 57344445
1-[4-[(3-pyridin-3-ylphenoxy)methyl]phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
CID 159234890
3-bromo-4-(phenoxymethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679171
4-pyridin-4-yloxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679480
3-bromo-4-(2-cyano-3-pyridin-3-ylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679605
5-[(3-fluorophenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrazole-3-carboxamide
CID 56740922
N-cyclohexyl-4-(phenoxymethyl)benzamide
CID 40606245
4-methylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 17425450
4-[[3-[6-(cyclopentylmethoxy)-3-pyridinyl]phenoxy]methyl]-N-methylsulfonylbenzamide
CID 142537157
4-(4-methylhexa-2,4-dienoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 123892076

Frequently Asked Questions

What is the IUPAC name of 4-[(3-pyrimidin-5-ylphenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The IUPAC name of 4-[(3-pyrimidin-5-ylphenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (CID 57344867) is 4-[(3-pyrimidin-5-ylphenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-[(3-pyrimidin-5-ylphenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-[(3-pyrimidin-5-ylphenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is CC1(C)CC(NC(=O)c2ccc(COc3cccc(-c4cncnc4)c3)cc2)CC(C)(C)N1.
What is the InChIKey of 4-[(3-pyrimidin-5-ylphenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The InChIKey is DRVNSYKBIYBQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-26(2)13-23(14-27(3,4)31-26)30-25(32)20-10-8-19(9-11-20)17-33-24-7-5-6-21(12-24)22-15-28-18-29-16-22/h5-12,15-16,18,23,31H,13-14,17H2,1-4H3,(H,30,32).
What are the key properties of 4-[(3-pyrimidin-5-ylphenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
4-[(3-pyrimidin-5-ylphenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide has a molecular weight of 444.58 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-pyrimidin-5-ylphenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is sourced from PubChem (CID 57344867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).