methyl 1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-4-carboxylate

C14H18N2O4 — CID 43423513

IUPACmethyl 1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2ccn(C)c(=O)c2)CC1
InChIInChI=1S/C14H18N2O4/c1-15-6-3-11(9-12(15)17)13(18)16-7-4-10(5-8-16)14(19)20-2/h3,6,9-10H,4-5,7-8H2,1-2H3
InChIKeyFMUXJQINYPDASI-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.41
Rot. Bonds2

About methyl 1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-4-carboxylate

methyl 1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-4-carboxylate (PubChem CID 43423513) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is methyl 1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-4-carboxylate
PubChem CID43423513
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Namemethyl 1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2ccn(C)c(=O)c2)CC1
InChIInChI=1S/C14H18N2O4/c1-15-6-3-11(9-12(15)17)13(18)16-7-4-10(5-8-16)14(19)20-2/h3,6,9-10H,4-5,7-8H2,1-2H3
InChIKeyFMUXJQINYPDASI-UHFFFAOYSA-N
XLogP0.41
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-4-carboxylate
CID 133959664
methyl 1-[(E)-4-methylpent-2-enoyl]piperidine-4-carboxylate
CID 59745577
Methyl 1-(2-ethylidenepent-3-enoyl)piperidine-4-carboxylate
CID 123376445
1-O-tert-butyl 4-O-ethyl 4-[2-(4-methyl-2-oxo-1-pyridinyl)ethyl]piperidine-1,4-dicarboxylate;ethane
CID 144729246
Ethane;methyl 2-methyl-4-(4-methyl-2-oxo-1-pyridinyl)butanoate
CID 144791860
ethyl 1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate
CID 28826279
methyl 1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate
CID 28826332
ethyl 1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate
CID 29854902
1-Methyl-4-(4-methylpiperidine-1-carbonyl)pyridin-2-one
CID 35560738
4-[5-(4-Methylpiperidin-1-yl)-2-oxo-1-pyridinyl]butanoic acid
CID 39151151
1-[3-(2-Oxo-1-pyridinyl)propanoyl]piperidine-4-carboxylic acid
CID 43170476
1-(1-Methyl-2-oxo-1,2-dihydropyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 43354232

Frequently Asked Questions

What is the IUPAC name of methyl 1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-4-carboxylate (CID 43423513) is methyl 1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)c2ccn(C)c(=O)c2)CC1.
What is the InChIKey of methyl 1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-4-carboxylate?
The InChIKey is FMUXJQINYPDASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-15-6-3-11(9-12(15)17)13(18)16-7-4-10(5-8-16)14(19)20-2/h3,6,9-10H,4-5,7-8H2,1-2H3.
What are the key properties of methyl 1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-4-carboxylate?
methyl 1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-4-carboxylate has a molecular weight of 278.31 g/mol, XLogP of 0.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 43423513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).