ethyl 3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate

C16H24N4O4 — CID 3265404

IUPACethyl 3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCCOC(=O)C1COC(=O)N1C1CCN(Cc2nccn2C)CC1
InChIInChI=1S/C16H24N4O4/c1-3-23-15(21)13-11-24-16(22)20(13)12-4-7-19(8-5-12)10-14-17-6-9-18(14)2/h6,9,12-13H,3-5,7-8,10-11H2,1-2H3
InChIKeyWBGYQJVVKDSMTK-UHFFFAOYSA-N
MW336.39 g/mol
LogP0.77
Rot. Bonds5

About ethyl 3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate

ethyl 3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate (PubChem CID 3265404) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is ethyl 3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
PubChem CID3265404
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Nameethyl 3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCCOC(=O)C1COC(=O)N1C1CCN(Cc2nccn2C)CC1
InChIInChI=1S/C16H24N4O4/c1-3-23-15(21)13-11-24-16(22)20(13)12-4-7-19(8-5-12)10-14-17-6-9-18(14)2/h6,9,12-13H,3-5,7-8,10-11H2,1-2H3
InChIKeyWBGYQJVVKDSMTK-UHFFFAOYSA-N
XLogP0.77
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate?
The IUPAC name of ethyl 3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate (CID 3265404) is ethyl 3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for ethyl 3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for ethyl 3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate is CCOC(=O)C1COC(=O)N1C1CCN(Cc2nccn2C)CC1.
What is the InChIKey of ethyl 3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate?
The InChIKey is WBGYQJVVKDSMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4/c1-3-23-15(21)13-11-24-16(22)20(13)12-4-7-19(8-5-12)10-14-17-6-9-18(14)2/h6,9,12-13H,3-5,7-8,10-11H2,1-2H3.
What are the key properties of ethyl 3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate?
ethyl 3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate has a molecular weight of 336.39 g/mol, XLogP of 0.77, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 3265404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).