methyl 4-oxo-4-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]butanoate

C13H20N2O5 — CID 110710646

IUPACmethyl 4-oxo-4-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]butanoate
SMILESCOC(=O)CCC(=O)N1CCC(N2CCOC2=O)CC1
InChIInChI=1S/C13H20N2O5/c1-19-12(17)3-2-11(16)14-6-4-10(5-7-14)15-8-9-20-13(15)18/h10H,2-9H2,1H3
InChIKeyNAUNXILBYXHMIK-UHFFFAOYSA-N
MW284.31 g/mol
LogP0.38
Rot. Bonds4

About methyl 4-oxo-4-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]butanoate

methyl 4-oxo-4-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]butanoate (PubChem CID 110710646) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is methyl 4-oxo-4-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]butanoate.

Molecular Properties

Compound Namemethyl 4-oxo-4-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]butanoate
PubChem CID110710646
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Namemethyl 4-oxo-4-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]butanoate
SMILESCOC(=O)CCC(=O)N1CCC(N2CCOC2=O)CC1
InChIInChI=1S/C13H20N2O5/c1-19-12(17)3-2-11(16)14-6-4-10(5-7-14)15-8-9-20-13(15)18/h10H,2-9H2,1H3
InChIKeyNAUNXILBYXHMIK-UHFFFAOYSA-N
XLogP0.38
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-4-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]butanoate?
The IUPAC name of methyl 4-oxo-4-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]butanoate (CID 110710646) is methyl 4-oxo-4-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]butanoate.
What is the SMILES notation for methyl 4-oxo-4-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]butanoate?
The canonical SMILES for methyl 4-oxo-4-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]butanoate is COC(=O)CCC(=O)N1CCC(N2CCOC2=O)CC1.
What is the InChIKey of methyl 4-oxo-4-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]butanoate?
The InChIKey is NAUNXILBYXHMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-19-12(17)3-2-11(16)14-6-4-10(5-7-14)15-8-9-20-13(15)18/h10H,2-9H2,1H3.
What are the key properties of methyl 4-oxo-4-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]butanoate?
methyl 4-oxo-4-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]butanoate has a molecular weight of 284.31 g/mol, XLogP of 0.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-4-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]butanoate is sourced from PubChem (CID 110710646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).