methyl 4-(3-oxo-1,2-oxazol-5-yl)-2-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]piperidine-1-carboxylate

C20H33N3O4 — CID 66978675

IUPACmethyl 4-(3-oxo-1,2-oxazol-5-yl)-2-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(c2cc(=O)[nH]o2)CC1CN1C(C)(C)CCCC1(C)C
InChIInChI=1S/C20H33N3O4/c1-19(2)8-6-9-20(3,4)23(19)13-15-11-14(16-12-17(24)21-27-16)7-10-22(15)18(25)26-5/h12,14-15H,6-11,13H2,1-5H3,(H,21,24)
InChIKeyGSWNEOLOOQJZCT-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.33
Rot. Bonds3

About methyl 4-(3-oxo-1,2-oxazol-5-yl)-2-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]piperidine-1-carboxylate

methyl 4-(3-oxo-1,2-oxazol-5-yl)-2-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]piperidine-1-carboxylate (PubChem CID 66978675) has the molecular formula C20H33N3O4 and a molecular weight of 379.50 g/mol. Its IUPAC name is methyl 4-(3-oxo-1,2-oxazol-5-yl)-2-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-oxo-1,2-oxazol-5-yl)-2-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]piperidine-1-carboxylate
PubChem CID66978675
Molecular FormulaC20H33N3O4
Molecular Weight379.50 g/mol
Exact Mass379.25
IUPAC Namemethyl 4-(3-oxo-1,2-oxazol-5-yl)-2-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(c2cc(=O)[nH]o2)CC1CN1C(C)(C)CCCC1(C)C
InChIInChI=1S/C20H33N3O4/c1-19(2)8-6-9-20(3,4)23(19)13-15-11-14(16-12-17(24)21-27-16)7-10-22(15)18(25)26-5/h12,14-15H,6-11,13H2,1-5H3,(H,21,24)
InChIKeyGSWNEOLOOQJZCT-UHFFFAOYSA-N
XLogP3.33
TPSA78.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-(3-oxo-1,2-oxazol-5-yl)-2-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]piperidine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-oxo-1,2-oxazol-5-yl)-2-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]piperidine-1-carboxylate?
The IUPAC name of methyl 4-(3-oxo-1,2-oxazol-5-yl)-2-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]piperidine-1-carboxylate (CID 66978675) is methyl 4-(3-oxo-1,2-oxazol-5-yl)-2-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-(3-oxo-1,2-oxazol-5-yl)-2-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-(3-oxo-1,2-oxazol-5-yl)-2-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]piperidine-1-carboxylate is COC(=O)N1CCC(c2cc(=O)[nH]o2)CC1CN1C(C)(C)CCCC1(C)C.
What is the InChIKey of methyl 4-(3-oxo-1,2-oxazol-5-yl)-2-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]piperidine-1-carboxylate?
The InChIKey is GSWNEOLOOQJZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O4/c1-19(2)8-6-9-20(3,4)23(19)13-15-11-14(16-12-17(24)21-27-16)7-10-22(15)18(25)26-5/h12,14-15H,6-11,13H2,1-5H3,(H,21,24).
What are the key properties of methyl 4-(3-oxo-1,2-oxazol-5-yl)-2-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]piperidine-1-carboxylate?
methyl 4-(3-oxo-1,2-oxazol-5-yl)-2-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]piperidine-1-carboxylate has a molecular weight of 379.50 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-oxo-1,2-oxazol-5-yl)-2-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 66978675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).