1-[(4-methoxyphenyl)methyl]-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]pyrrolidin-2-one

C22H34N2O3 — CID 11068798

IUPAC1-[(4-methoxyphenyl)methyl]-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]pyrrolidin-2-one
SMILESCOc1ccc(CN2CC(CON3C(C)(C)CCCC3(C)C)CC2=O)cc1
InChIInChI=1S/C22H34N2O3/c1-21(2)11-6-12-22(3,4)24(21)27-16-18-13-20(25)23(15-18)14-17-7-9-19(26-5)10-8-17/h7-10,18H,6,11-16H2,1-5H3
InChIKeyLFWCVRUXKTUGNC-UHFFFAOYSA-N
MW374.53 g/mol
LogP4.02
Rot. Bonds6

About 1-[(4-methoxyphenyl)methyl]-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]pyrrolidin-2-one

1-[(4-methoxyphenyl)methyl]-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]pyrrolidin-2-one (PubChem CID 11068798) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]pyrrolidin-2-one
PubChem CID11068798
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC Name1-[(4-methoxyphenyl)methyl]-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]pyrrolidin-2-one
SMILESCOc1ccc(CN2CC(CON3C(C)(C)CCCC3(C)C)CC2=O)cc1
InChIInChI=1S/C22H34N2O3/c1-21(2)11-6-12-22(3,4)24(21)27-16-18-13-20(25)23(15-18)14-17-7-9-19(26-5)10-8-17/h7-10,18H,6,11-16H2,1-5H3
InChIKeyLFWCVRUXKTUGNC-UHFFFAOYSA-N
XLogP4.02
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(4-methoxyphenyl)methyl]-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711571
N-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-N-morpholin-4-ylformamide
CID 88605364
1-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-[(4-methoxyphenyl)methyl]pyrazine-2,3-dione
CID 154884210
N-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzamide
CID 40898594
methyl 2-[[(3R)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 95293242
N-[1-(aminomethyl)cyclopentyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119568459
4-(aminomethyl)-1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-one
CID 168659646
(1S,5R)-9-[(4-methoxyphenyl)methyl]-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 154598891
N-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4126186
N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109700
(3S)-N-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 95619377
5-amino-1-[(4-methoxyphenyl)methyl]-5-methylpiperidin-2-one
CID 129101346

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]pyrrolidin-2-one?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]pyrrolidin-2-one (CID 11068798) is 1-[(4-methoxyphenyl)methyl]-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]pyrrolidin-2-one is COc1ccc(CN2CC(CON3C(C)(C)CCCC3(C)C)CC2=O)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]pyrrolidin-2-one?
The InChIKey is LFWCVRUXKTUGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-21(2)11-6-12-22(3,4)24(21)27-16-18-13-20(25)23(15-18)14-17-7-9-19(26-5)10-8-17/h7-10,18H,6,11-16H2,1-5H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]pyrrolidin-2-one?
1-[(4-methoxyphenyl)methyl]-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]pyrrolidin-2-one has a molecular weight of 374.53 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]pyrrolidin-2-one is sourced from PubChem (CID 11068798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).