methyl 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate

C15H20N2O4 — CID 43422520

IUPACmethyl 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2c(C)cc(C)[nH]c2=O)CC1
InChIInChI=1S/C15H20N2O4/c1-9-8-10(2)16-13(18)12(9)14(19)17-6-4-11(5-7-17)15(20)21-3/h8,11H,4-7H2,1-3H3,(H,16,18)
InChIKeyLTCOKDNARPALFW-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.02
Rot. Bonds2

About methyl 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate

methyl 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate (PubChem CID 43422520) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is methyl 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate
PubChem CID43422520
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Namemethyl 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2c(C)cc(C)[nH]c2=O)CC1
InChIInChI=1S/C15H20N2O4/c1-9-8-10(2)16-13(18)12(9)14(19)17-6-4-11(5-7-17)15(20)21-3/h8,11H,4-7H2,1-3H3,(H,16,18)
InChIKeyLTCOKDNARPALFW-UHFFFAOYSA-N
XLogP1.02
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate (CID 43422520) is methyl 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)c2c(C)cc(C)[nH]c2=O)CC1.
What is the InChIKey of methyl 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate?
The InChIKey is LTCOKDNARPALFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-9-8-10(2)16-13(18)12(9)14(19)17-6-4-11(5-7-17)15(20)21-3/h8,11H,4-7H2,1-3H3,(H,16,18).
What are the key properties of methyl 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate?
methyl 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate has a molecular weight of 292.33 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 43422520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).