1-benzyl-3,3-dimethyl-5-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]pyrrolidin-2-one

C23H36N2O2 — CID 101023923

IUPAC1-benzyl-3,3-dimethyl-5-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]pyrrolidin-2-one
SMILESCC1(C)CC(CON2C(C)(C)CCCC2(C)C)N(Cc2ccccc2)C1=O
InChIInChI=1S/C23H36N2O2/c1-21(2)15-19(24(20(21)26)16-18-11-8-7-9-12-18)17-27-25-22(3,4)13-10-14-23(25,5)6/h7-9,11-12,19H,10,13-17H2,1-6H3
InChIKeyGPCOYWXNLZGGRW-UHFFFAOYSA-N
MW372.55 g/mol
LogP4.79
Rot. Bonds5

About 1-benzyl-3,3-dimethyl-5-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]pyrrolidin-2-one

1-benzyl-3,3-dimethyl-5-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]pyrrolidin-2-one (PubChem CID 101023923) has the molecular formula C23H36N2O2 and a molecular weight of 372.55 g/mol. Its IUPAC name is 1-benzyl-3,3-dimethyl-5-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-3,3-dimethyl-5-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]pyrrolidin-2-one
PubChem CID101023923
Molecular FormulaC23H36N2O2
Molecular Weight372.55 g/mol
Exact Mass372.28
IUPAC Name1-benzyl-3,3-dimethyl-5-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]pyrrolidin-2-one
SMILESCC1(C)CC(CON2C(C)(C)CCCC2(C)C)N(Cc2ccccc2)C1=O
InChIInChI=1S/C23H36N2O2/c1-21(2)15-19(24(20(21)26)16-18-11-8-7-9-12-18)17-27-25-22(3,4)13-10-14-23(25,5)6/h7-9,11-12,19H,10,13-17H2,1-6H3
InChIKeyGPCOYWXNLZGGRW-UHFFFAOYSA-N
XLogP4.79
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.55
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-1-benzyl-5-(methoxymethyl)pyrrolidin-2-one
CID 11746118
(5S)-1-benzyl-5-(hydroxymethyl)-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypyrrolidin-2-one
CID 132600949
(5S)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypyrrolidin-2-one
CID 132600950
(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(E)-3-phenylprop-2-enyl]-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypyrrolidin-2-one
CID 162416172
(3R,5S)-1-benzyl-5-(hydroxymethyl)-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypyrrolidin-2-one
CID 168330495
(3R,5S)-1-benzyl-3-fluoro-5-(methoxymethyl)pyrrolidin-2-one
CID 101170044
1-Benzyl-8-(3,3-dimethylbutanoyl)-1,8-diazaspiro[4.5]decan-2-one
CID 42324512
8-Benzyl-2-methoxy-2,8-diazaspiro[4.5]decane-1,3-dione
CID 14371810
1-Benzhydryl-5-(methoxymethyl)pyrrolidin-2-one
CID 19987186
(5S)-1-benzhydryl-5-(2-ethoxyethoxymethyl)pyrrolidin-2-one
CID 57030473
(5S)-1-benzhydryl-5-(methoxymethyl)pyrrolidin-2-one
CID 67945722
(5S)-1-benzyl-3-tert-butyl-5-(hydroxymethyl)-3-methylpyrrolidin-2-one
CID 70834239

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,3-dimethyl-5-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]pyrrolidin-2-one?
The IUPAC name of 1-benzyl-3,3-dimethyl-5-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]pyrrolidin-2-one (CID 101023923) is 1-benzyl-3,3-dimethyl-5-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-3,3-dimethyl-5-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]pyrrolidin-2-one?
The canonical SMILES for 1-benzyl-3,3-dimethyl-5-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]pyrrolidin-2-one is CC1(C)CC(CON2C(C)(C)CCCC2(C)C)N(Cc2ccccc2)C1=O.
What is the InChIKey of 1-benzyl-3,3-dimethyl-5-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]pyrrolidin-2-one?
The InChIKey is GPCOYWXNLZGGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O2/c1-21(2)15-19(24(20(21)26)16-18-11-8-7-9-12-18)17-27-25-22(3,4)13-10-14-23(25,5)6/h7-9,11-12,19H,10,13-17H2,1-6H3.
What are the key properties of 1-benzyl-3,3-dimethyl-5-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]pyrrolidin-2-one?
1-benzyl-3,3-dimethyl-5-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]pyrrolidin-2-one has a molecular weight of 372.55 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,3-dimethyl-5-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]pyrrolidin-2-one is sourced from PubChem (CID 101023923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).