4-(1-butanoylpiperidin-4-yl)oxy-1,6-dimethylpyridin-2-one

C16H24N2O3 — CID 121156306

IUPAC4-(1-butanoylpiperidin-4-yl)oxy-1,6-dimethylpyridin-2-one
SMILESCCCC(=O)N1CCC(Oc2cc(C)n(C)c(=O)c2)CC1
InChIInChI=1S/C16H24N2O3/c1-4-5-15(19)18-8-6-13(7-9-18)21-14-10-12(2)17(3)16(20)11-14/h10-11,13H,4-9H2,1-3H3
InChIKeyRDOAQRNMSHDWFM-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.86
Rot. Bonds4

About 4-(1-butanoylpiperidin-4-yl)oxy-1,6-dimethylpyridin-2-one

4-(1-butanoylpiperidin-4-yl)oxy-1,6-dimethylpyridin-2-one (PubChem CID 121156306) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-(1-butanoylpiperidin-4-yl)oxy-1,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name4-(1-butanoylpiperidin-4-yl)oxy-1,6-dimethylpyridin-2-one
PubChem CID121156306
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name4-(1-butanoylpiperidin-4-yl)oxy-1,6-dimethylpyridin-2-one
SMILESCCCC(=O)N1CCC(Oc2cc(C)n(C)c(=O)c2)CC1
InChIInChI=1S/C16H24N2O3/c1-4-5-15(19)18-8-6-13(7-9-18)21-14-10-12(2)17(3)16(20)11-14/h10-11,13H,4-9H2,1-3H3
InChIKeyRDOAQRNMSHDWFM-UHFFFAOYSA-N
XLogP1.86
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,6-dimethyl-4-[1-(3-phenylsulfanylpropanoyl)piperidin-4-yl]oxypyridin-2-one
CID 121156275
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
1,6-dimethyl-4-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]oxypyridin-2-one
CID 86265620
4-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 121156253
4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 121156321
4-[1-[2-(1,3-benzodioxol-5-yl)acetyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 121156367
methyl 4-[4-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]piperidine-1-carbonyl]benzoate
CID 121156265
1,6-dimethyl-4-[1-(2-phenoxypropanoyl)piperidin-4-yl]oxypyridin-2-one
CID 121156254
1,6-dimethyl-4-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]oxypyridin-2-one
CID 121156319
oxolan-2-ylmethyl 4-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]piperidine-1-carboxylate
CID 121182592
4-[1-(2-bromo-5-methoxybenzoyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 86265657

Frequently Asked Questions

What is the IUPAC name of 4-(1-butanoylpiperidin-4-yl)oxy-1,6-dimethylpyridin-2-one?
The IUPAC name of 4-(1-butanoylpiperidin-4-yl)oxy-1,6-dimethylpyridin-2-one (CID 121156306) is 4-(1-butanoylpiperidin-4-yl)oxy-1,6-dimethylpyridin-2-one.
What is the SMILES notation for 4-(1-butanoylpiperidin-4-yl)oxy-1,6-dimethylpyridin-2-one?
The canonical SMILES for 4-(1-butanoylpiperidin-4-yl)oxy-1,6-dimethylpyridin-2-one is CCCC(=O)N1CCC(Oc2cc(C)n(C)c(=O)c2)CC1.
What is the InChIKey of 4-(1-butanoylpiperidin-4-yl)oxy-1,6-dimethylpyridin-2-one?
The InChIKey is RDOAQRNMSHDWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-5-15(19)18-8-6-13(7-9-18)21-14-10-12(2)17(3)16(20)11-14/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 4-(1-butanoylpiperidin-4-yl)oxy-1,6-dimethylpyridin-2-one?
4-(1-butanoylpiperidin-4-yl)oxy-1,6-dimethylpyridin-2-one has a molecular weight of 292.38 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-butanoylpiperidin-4-yl)oxy-1,6-dimethylpyridin-2-one is sourced from PubChem (CID 121156306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).