methyl 5-oxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-3-carboxylate

C16H28N2O3 — CID 20556288

IUPACmethyl 5-oxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(C2CC(C)(C)N(C)C(C)(C)C2)C1
InChIInChI=1S/C16H28N2O3/c1-15(2)8-12(9-16(3,4)17(15)5)18-10-11(7-13(18)19)14(20)21-6/h11-12H,7-10H2,1-6H3
InChIKeyFOEFPCGOFXTNGB-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.66
Rot. Bonds2

About methyl 5-oxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-3-carboxylate

methyl 5-oxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-3-carboxylate (PubChem CID 20556288) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is methyl 5-oxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-oxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-3-carboxylate
PubChem CID20556288
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Namemethyl 5-oxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(C2CC(C)(C)N(C)C(C)(C)C2)C1
InChIInChI=1S/C16H28N2O3/c1-15(2)8-12(9-16(3,4)17(15)5)18-10-11(7-13(18)19)14(20)21-6/h11-12H,7-10H2,1-6H3
InChIKeyFOEFPCGOFXTNGB-UHFFFAOYSA-N
XLogP1.66
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Oxo-1-(2,2,6,6-tetramethyl-4-piperidinyl)-3-pyrrolidinecarboxylic acid
CID 20556293
Methyl 1-cyclotetradecyl-5-oxopyrrolidine-3-carboxylate
CID 163671275
tert-butyl 4-[(4S)-4-methoxycarbonyl-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate
CID 42544012
Methyl 1-ethyl-8-(3-methylbutyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 45168583
Methyl 1-cyclohexyl-5-oxopyrrolidine-3-carboxylate
CID 3107633
4-(Methoxycarbonyl)-1-(2,2,6,6-tetramethyl-4-piperidinyl)-2-pyrrolidone
CID 13628613
Methyl 5-oxo-1-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]pyrrolidine-3-carboxylate
CID 20556284
5-Oxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-3-carboxylic acid
CID 20556287
Methyl 1-[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]-5-oxopyrrolidine-3-carboxylate
CID 20556289
N,N-diethyl-5-oxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-3-carboxamide
CID 20556294
Prop-2-enyl 5-oxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-3-carboxylate
CID 20556295
Methyl 1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylate
CID 20556296

Frequently Asked Questions

What is the IUPAC name of methyl 5-oxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 5-oxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-3-carboxylate (CID 20556288) is methyl 5-oxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 5-oxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 5-oxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-3-carboxylate is COC(=O)C1CC(=O)N(C2CC(C)(C)N(C)C(C)(C)C2)C1.
What is the InChIKey of methyl 5-oxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-3-carboxylate?
The InChIKey is FOEFPCGOFXTNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-15(2)8-12(9-16(3,4)17(15)5)18-10-11(7-13(18)19)14(20)21-6/h11-12H,7-10H2,1-6H3.
What are the key properties of methyl 5-oxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-3-carboxylate?
methyl 5-oxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-3-carboxylate has a molecular weight of 296.41 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 20556288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).