ethyl 1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperazine-2-carboxylate

C14H19N3O4 — CID 103807377

IUPACethyl 1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperazine-2-carboxylate
SMILESCCOC(=O)C1CNCCN1C(=O)c1c[nH]c(C)cc1=O
InChIInChI=1S/C14H19N3O4/c1-3-21-14(20)11-8-15-4-5-17(11)13(19)10-7-16-9(2)6-12(10)18/h6-7,11,15H,3-5,8H2,1-2H3,(H,16,18)
InChIKeyCYXITEDHSZUKEC-UHFFFAOYSA-N
MW293.32 g/mol
LogP-0.34
Rot. Bonds3

About ethyl 1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperazine-2-carboxylate

ethyl 1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperazine-2-carboxylate (PubChem CID 103807377) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is ethyl 1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperazine-2-carboxylate
PubChem CID103807377
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Nameethyl 1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperazine-2-carboxylate
SMILESCCOC(=O)C1CNCCN1C(=O)c1c[nH]c(C)cc1=O
InChIInChI=1S/C14H19N3O4/c1-3-21-14(20)11-8-15-4-5-17(11)13(19)10-7-16-9(2)6-12(10)18/h6-7,11,15H,3-5,8H2,1-2H3,(H,16,18)
InChIKeyCYXITEDHSZUKEC-UHFFFAOYSA-N
XLogP-0.34
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(4-ethylphenyl)piperazine-1-carbonyl]-2-methyl-1H-pyridin-4-one
CID 120741559
ethyl 1-(1,3-thiazole-5-carbonyl)piperazine-2-carboxylate
CID 114031288
ethyl 1-(5-methyl-1,2-diphenylpyrrole-3-carbonyl)piperazine-2-carboxylate
CID 143526862
ethyl 1-(2-methoxypropanoyl)piperazine-2-carboxylate
CID 113265828
ethyl 1-(2-cycloheptylacetyl)piperazine-2-carboxylate
CID 115737538
ethyl 1-hexa-2,4-dienoylpiperazine-2-carboxylate
CID 77074329
5-(2-cyclopentylpyrrolidine-1-carbonyl)-2-methyl-1H-pyridin-4-one
CID 103717698
5-[(4aR,7aS)-6,6-dioxo-1-propanoyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carbonyl]-2-methyl-1H-pyridin-4-one
CID 70780776
ethyl 1-(3-methylpiperidine-1-carbonyl)piperazine-2-carboxylate
CID 79162464
5-[2-(bromomethyl)azepane-1-carbonyl]-2-methyl-1H-pyridin-4-one
CID 114039337
ethyl 1-(2,2-dimethylcyclopentanecarbonyl)piperazine-2-carboxylate
CID 107180851
ethyl 1-piperidin-4-ylpiperazine-2-carboxylate
CID 141178631

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperazine-2-carboxylate?
The IUPAC name of ethyl 1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperazine-2-carboxylate (CID 103807377) is ethyl 1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperazine-2-carboxylate.
What is the SMILES notation for ethyl 1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperazine-2-carboxylate?
The canonical SMILES for ethyl 1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperazine-2-carboxylate is CCOC(=O)C1CNCCN1C(=O)c1c[nH]c(C)cc1=O.
What is the InChIKey of ethyl 1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperazine-2-carboxylate?
The InChIKey is CYXITEDHSZUKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-3-21-14(20)11-8-15-4-5-17(11)13(19)10-7-16-9(2)6-12(10)18/h6-7,11,15H,3-5,8H2,1-2H3,(H,16,18).
What are the key properties of ethyl 1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperazine-2-carboxylate?
ethyl 1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperazine-2-carboxylate has a molecular weight of 293.32 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperazine-2-carboxylate is sourced from PubChem (CID 103807377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).