4-[1-(2-bromo-5-methoxybenzoyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one

C20H23BrN2O4 — CID 86265657

IUPAC4-[1-(2-bromo-5-methoxybenzoyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
SMILESCOc1ccc(Br)c(C(=O)N2CCC(Oc3cc(C)n(C)c(=O)c3)CC2)c1
InChIInChI=1S/C20H23BrN2O4/c1-13-10-16(12-19(24)22(13)2)27-14-6-8-23(9-7-14)20(25)17-11-15(26-3)4-5-18(17)21/h4-5,10-12,14H,6-9H2,1-3H3
InChIKeyZICQTXNYPMWVHG-UHFFFAOYSA-N
MW435.32 g/mol
LogP3.15
Rot. Bonds4

About 4-[1-(2-bromo-5-methoxybenzoyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one

4-[1-(2-bromo-5-methoxybenzoyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one (PubChem CID 86265657) has the molecular formula C20H23BrN2O4 and a molecular weight of 435.32 g/mol. Its IUPAC name is 4-[1-(2-bromo-5-methoxybenzoyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name4-[1-(2-bromo-5-methoxybenzoyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
PubChem CID86265657
Molecular FormulaC20H23BrN2O4
Molecular Weight435.32 g/mol
Exact Mass434.08
IUPAC Name4-[1-(2-bromo-5-methoxybenzoyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
SMILESCOc1ccc(Br)c(C(=O)N2CCC(Oc3cc(C)n(C)c(=O)c3)CC2)c1
InChIInChI=1S/C20H23BrN2O4/c1-13-10-16(12-19(24)22(13)2)27-14-6-8-23(9-7-14)20(25)17-11-15(26-3)4-5-18(17)21/h4-5,10-12,14H,6-9H2,1-3H3
InChIKeyZICQTXNYPMWVHG-UHFFFAOYSA-N
XLogP3.15
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.32
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[1-(2-bromo-5-methoxybenzoyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one with MolForge

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Related Compounds

methyl 4-[4-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]piperidine-1-carbonyl]benzoate
CID 121156265
4-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 121156253
(2-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396817
(2-bromo-5-methoxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 62085963
(2-bromo-5-methoxyphenyl)-(4-methylsulfonylpiperidin-1-yl)methanone
CID 90585180
(2-bromo-5-methoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261775
1,6-dimethyl-4-[1-(2-oxochromene-3-carbonyl)piperidin-4-yl]oxypyridin-2-one
CID 86265656
[(3R)-3-aminopyrrolidin-1-yl]-(2-bromo-5-methoxyphenyl)methanone
CID 81468954
(2-bromo-5-methoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80550754
1-(2-bromo-5-methoxybenzoyl)-N'-hydroxypiperidine-4-carboximidamide
CID 77038523
4-(1-butanoylpiperidin-4-yl)oxy-1,6-dimethylpyridin-2-one
CID 121156306
1,6-dimethyl-4-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]oxypyridin-2-one
CID 121156319

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-bromo-5-methoxybenzoyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one?
The IUPAC name of 4-[1-(2-bromo-5-methoxybenzoyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one (CID 86265657) is 4-[1-(2-bromo-5-methoxybenzoyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one.
What is the SMILES notation for 4-[1-(2-bromo-5-methoxybenzoyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one?
The canonical SMILES for 4-[1-(2-bromo-5-methoxybenzoyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one is COc1ccc(Br)c(C(=O)N2CCC(Oc3cc(C)n(C)c(=O)c3)CC2)c1.
What is the InChIKey of 4-[1-(2-bromo-5-methoxybenzoyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one?
The InChIKey is ZICQTXNYPMWVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O4/c1-13-10-16(12-19(24)22(13)2)27-14-6-8-23(9-7-14)20(25)17-11-15(26-3)4-5-18(17)21/h4-5,10-12,14H,6-9H2,1-3H3.
What are the key properties of 4-[1-(2-bromo-5-methoxybenzoyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one?
4-[1-(2-bromo-5-methoxybenzoyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one has a molecular weight of 435.32 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-bromo-5-methoxybenzoyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one is sourced from PubChem (CID 86265657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).