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

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

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Related Compounds

ethyl 2-oxo-3-[1-(2-pyrimidin-2-ylsulfanylacetyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate
CID 3791424
ethyl (4S)-2-oxo-3-[1-(2-pyrimidin-2-ylsulfanylacetyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate
CID 74229563
ethyl 2-oxo-3-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate
CID 3816107
ethyl 3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 3682418
ethyl 2-oxo-3-[1-(5-pyridin-2-ylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate
CID 3700877
1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxylic acid
CID 42961844
ethyl 3-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 3805310
ethyl 3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 3871192
ethyl 3-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 4513296
ethyl 3-[1-(1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 3862614
ethyl (4S)-3-[1-[(4-ethoxy-4-oxobutyl)carbamothioyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 74228058
ethyl (4S)-3-[1-(5-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 74229185

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).