methyl 4-[4-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]piperidine-1-carbonyl]benzoate

C21H24N2O5 — CID 121156265

IUPACmethyl 4-[4-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]piperidine-1-carbonyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)N2CCC(Oc3cc(C)n(C)c(=O)c3)CC2)cc1
InChIInChI=1S/C21H24N2O5/c1-14-12-18(13-19(24)22(14)2)28-17-8-10-23(11-9-17)20(25)15-4-6-16(7-5-15)21(26)27-3/h4-7,12-13,17H,8-11H2,1-3H3
InChIKeyFVQIDSGMMKSGII-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.16
Rot. Bonds4

About methyl 4-[4-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]piperidine-1-carbonyl]benzoate

methyl 4-[4-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]piperidine-1-carbonyl]benzoate (PubChem CID 121156265) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is methyl 4-[4-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]piperidine-1-carbonyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[4-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]piperidine-1-carbonyl]benzoate
PubChem CID121156265
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Namemethyl 4-[4-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]piperidine-1-carbonyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)N2CCC(Oc3cc(C)n(C)c(=O)c3)CC2)cc1
InChIInChI=1S/C21H24N2O5/c1-14-12-18(13-19(24)22(14)2)28-17-8-10-23(11-9-17)20(25)15-4-6-16(7-5-15)21(26)27-3/h4-7,12-13,17H,8-11H2,1-3H3
InChIKeyFVQIDSGMMKSGII-UHFFFAOYSA-N
XLogP2.16
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-[4-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]piperidine-1-carbonyl]benzoate with MolForge

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Related Compounds

1,6-dimethyl-4-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]oxypyridin-2-one
CID 121156319
4-[1-(2-bromo-5-methoxybenzoyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 86265657
4-(1-butanoylpiperidin-4-yl)oxy-1,6-dimethylpyridin-2-one
CID 121156306
methyl 4-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carbonyl]benzoate
CID 121017902
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
1,6-dimethyl-4-[1-(2-phenoxyacetyl)piperidin-4-yl]oxypyridin-2-one
CID 121156235
1,6-dimethyl-4-[1-(2-phenoxypropanoyl)piperidin-4-yl]oxypyridin-2-one
CID 121156254
1,6-dimethyl-4-[1-(2-oxochromene-3-carbonyl)piperidin-4-yl]oxypyridin-2-one
CID 86265656
4-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 121156253
4-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one
CID 86265539
4-[1-(1,3-benzothiazole-2-carbonyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 121156264
1,6-dimethyl-4-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]oxypyridin-2-one
CID 121182574

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]piperidine-1-carbonyl]benzoate?
The IUPAC name of methyl 4-[4-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]piperidine-1-carbonyl]benzoate (CID 121156265) is methyl 4-[4-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]piperidine-1-carbonyl]benzoate.
What is the SMILES notation for methyl 4-[4-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]piperidine-1-carbonyl]benzoate?
The canonical SMILES for methyl 4-[4-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]piperidine-1-carbonyl]benzoate is COC(=O)c1ccc(C(=O)N2CCC(Oc3cc(C)n(C)c(=O)c3)CC2)cc1.
What is the InChIKey of methyl 4-[4-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]piperidine-1-carbonyl]benzoate?
The InChIKey is FVQIDSGMMKSGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-14-12-18(13-19(24)22(14)2)28-17-8-10-23(11-9-17)20(25)15-4-6-16(7-5-15)21(26)27-3/h4-7,12-13,17H,8-11H2,1-3H3.
What are the key properties of methyl 4-[4-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]piperidine-1-carbonyl]benzoate?
methyl 4-[4-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]piperidine-1-carbonyl]benzoate has a molecular weight of 384.43 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]piperidine-1-carbonyl]benzoate is sourced from PubChem (CID 121156265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).