methyl 1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylate

C17H28N2O4 — CID 20556296

IUPACmethyl 1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(C2CC(C)(C)N(C(C)=O)C(C)(C)C2)C1
InChIInChI=1S/C17H28N2O4/c1-11(20)19-16(2,3)8-13(9-17(19,4)5)18-10-12(7-14(18)21)15(22)23-6/h12-13H,7-10H2,1-6H3
InChIKeyFSMRRVCTOMVVGA-UHFFFAOYSA-N
MW324.42 g/mol
LogP1.58
Rot. Bonds2

About methyl 1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylate

methyl 1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 20556296) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is methyl 1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylate
PubChem CID20556296
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Namemethyl 1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(C2CC(C)(C)N(C(C)=O)C(C)(C)C2)C1
InChIInChI=1S/C17H28N2O4/c1-11(20)19-16(2,3)8-13(9-17(19,4)5)18-10-12(7-14(18)21)15(22)23-6/h12-13H,7-10H2,1-6H3
InChIKeyFSMRRVCTOMVVGA-UHFFFAOYSA-N
XLogP1.58
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylate (CID 20556296) is methyl 1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylate is COC(=O)C1CC(=O)N(C2CC(C)(C)N(C(C)=O)C(C)(C)C2)C1.
What is the InChIKey of methyl 1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is FSMRRVCTOMVVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-11(20)19-16(2,3)8-13(9-17(19,4)5)18-10-12(7-14(18)21)15(22)23-6/h12-13H,7-10H2,1-6H3.
What are the key properties of methyl 1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylate?
methyl 1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 324.42 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 20556296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).