ethyl 3-(1-ethenoxycarbonylpiperidin-4-yl)-2-oxo-1,3-oxazolidine-4-carboxylate

C14H20N2O6 — CID 3726554

IUPACethyl 3-(1-ethenoxycarbonylpiperidin-4-yl)-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESC=COC(=O)N1CCC(N2C(=O)OCC2C(=O)OCC)CC1
InChIInChI=1S/C14H20N2O6/c1-3-20-12(17)11-9-22-14(19)16(11)10-5-7-15(8-6-10)13(18)21-4-2/h4,10-11H,2-3,5-9H2,1H3
InChIKeyJZRRCXYQVUCNEH-UHFFFAOYSA-N
MW312.32 g/mol
LogP1.11
Rot. Bonds4

About ethyl 3-(1-ethenoxycarbonylpiperidin-4-yl)-2-oxo-1,3-oxazolidine-4-carboxylate

ethyl 3-(1-ethenoxycarbonylpiperidin-4-yl)-2-oxo-1,3-oxazolidine-4-carboxylate (PubChem CID 3726554) has the molecular formula C14H20N2O6 and a molecular weight of 312.32 g/mol. Its IUPAC name is ethyl 3-(1-ethenoxycarbonylpiperidin-4-yl)-2-oxo-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-(1-ethenoxycarbonylpiperidin-4-yl)-2-oxo-1,3-oxazolidine-4-carboxylate
PubChem CID3726554
Molecular FormulaC14H20N2O6
Molecular Weight312.32 g/mol
Exact Mass312.13
IUPAC Nameethyl 3-(1-ethenoxycarbonylpiperidin-4-yl)-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESC=COC(=O)N1CCC(N2C(=O)OCC2C(=O)OCC)CC1
InChIInChI=1S/C14H20N2O6/c1-3-20-12(17)11-9-22-14(19)16(11)10-5-7-15(8-6-10)13(18)21-4-2/h4,10-11H,2-3,5-9H2,1H3
InChIKeyJZRRCXYQVUCNEH-UHFFFAOYSA-N
XLogP1.11
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

Methyl 3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 3300387
Ethyl 3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 3819612
methyl (4S)-3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 74225230
methyl (4R)-2-oxo-3-piperidin-4-yl-1,3-oxazolidine-4-carboxylate
CID 59534397
Methyl 2-oxo-3-piperidin-4-yl-1,3-oxazolidine-4-carboxylate
CID 75611581
Methyl 2-oxo-3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate
CID 3836275
ethyl (4R)-3-cyclohexyl-2-oxo-1,3-oxazolidine-4-carboxylate
CID 12128804
ethyl (4S)-3-cyclohexyl-2-oxo-1,3-oxazolidine-4-carboxylate
CID 12128805
Ethyl 3-cyclohexyl-2-oxo-1,3-oxazolidine-4-carboxylate
CID 21573558
methyl (4S)-2-oxo-3-piperidin-4-yl-1,3-oxazolidine-4-carboxylate
CID 51064068
methyl (4S)-2-oxo-3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate
CID 74225539
Methyl 4-[2-(2,5-dimethylpyrrolidin-1-yl)propanoyl]morpholine-3-carboxylate
CID 104774843

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1-ethenoxycarbonylpiperidin-4-yl)-2-oxo-1,3-oxazolidine-4-carboxylate?
The IUPAC name of ethyl 3-(1-ethenoxycarbonylpiperidin-4-yl)-2-oxo-1,3-oxazolidine-4-carboxylate (CID 3726554) is ethyl 3-(1-ethenoxycarbonylpiperidin-4-yl)-2-oxo-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for ethyl 3-(1-ethenoxycarbonylpiperidin-4-yl)-2-oxo-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for ethyl 3-(1-ethenoxycarbonylpiperidin-4-yl)-2-oxo-1,3-oxazolidine-4-carboxylate is C=COC(=O)N1CCC(N2C(=O)OCC2C(=O)OCC)CC1.
What is the InChIKey of ethyl 3-(1-ethenoxycarbonylpiperidin-4-yl)-2-oxo-1,3-oxazolidine-4-carboxylate?
The InChIKey is JZRRCXYQVUCNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O6/c1-3-20-12(17)11-9-22-14(19)16(11)10-5-7-15(8-6-10)13(18)21-4-2/h4,10-11H,2-3,5-9H2,1H3.
What are the key properties of ethyl 3-(1-ethenoxycarbonylpiperidin-4-yl)-2-oxo-1,3-oxazolidine-4-carboxylate?
ethyl 3-(1-ethenoxycarbonylpiperidin-4-yl)-2-oxo-1,3-oxazolidine-4-carboxylate has a molecular weight of 312.32 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1-ethenoxycarbonylpiperidin-4-yl)-2-oxo-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 3726554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).