4-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one

C21H26N2O4 — CID 121156253

IUPAC4-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
SMILESCOc1cccc(CC(=O)N2CCC(Oc3cc(C)n(C)c(=O)c3)CC2)c1
InChIInChI=1S/C21H26N2O4/c1-15-11-19(14-20(24)22(15)2)27-17-7-9-23(10-8-17)21(25)13-16-5-4-6-18(12-16)26-3/h4-6,11-12,14,17H,7-10,13H2,1-3H3
InChIKeyVQXPJHGHTUNVSP-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.31
Rot. Bonds5

About 4-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one

4-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one (PubChem CID 121156253) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 4-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name4-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
PubChem CID121156253
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name4-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
SMILESCOc1cccc(CC(=O)N2CCC(Oc3cc(C)n(C)c(=O)c3)CC2)c1
InChIInChI=1S/C21H26N2O4/c1-15-11-19(14-20(24)22(15)2)27-17-7-9-23(10-8-17)21(25)13-16-5-4-6-18(12-16)26-3/h4-6,11-12,14,17H,7-10,13H2,1-3H3
InChIKeyVQXPJHGHTUNVSP-UHFFFAOYSA-N
XLogP2.31
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-[2-(1,3-benzodioxol-5-yl)acetyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 121156367
1,6-dimethyl-4-[1-(2-phenoxyacetyl)piperidin-4-yl]oxypyridin-2-one
CID 121156235
1,6-dimethyl-4-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]oxypyridin-2-one
CID 121182574
4-(1-butanoylpiperidin-4-yl)oxy-1,6-dimethylpyridin-2-one
CID 121156306
4-[1-(2-bromo-5-methoxybenzoyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 86265657
1,6-dimethyl-4-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]oxypyridin-2-one
CID 86265620
1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 110396864
1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenyl)ethanone
CID 127120206
1,6-dimethyl-4-[1-(3-phenylsulfanylpropanoyl)piperidin-4-yl]oxypyridin-2-one
CID 121156275
1-[4-(1-bromoethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 106839428
2-(3-methoxyphenyl)-1-[4-(4-methylbenzoyl)piperidin-1-yl]ethanone
CID 55955179
methyl 4-[4-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]piperidine-1-carbonyl]benzoate
CID 121156265

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one?
The IUPAC name of 4-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one (CID 121156253) is 4-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one.
What is the SMILES notation for 4-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one?
The canonical SMILES for 4-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one is COc1cccc(CC(=O)N2CCC(Oc3cc(C)n(C)c(=O)c3)CC2)c1.
What is the InChIKey of 4-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one?
The InChIKey is VQXPJHGHTUNVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-15-11-19(14-20(24)22(15)2)27-17-7-9-23(10-8-17)21(25)13-16-5-4-6-18(12-16)26-3/h4-6,11-12,14,17H,7-10,13H2,1-3H3.
What are the key properties of 4-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one?
4-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one has a molecular weight of 370.45 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one is sourced from PubChem (CID 121156253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).