1-benzyl-5,5-dimethoxy-4-methylpiperidin-2-one;1-benzyl-4-methylpiperidine-2,5-dione;trimethoxymethane

C32H46N2O8 — CID 158028172

IUPAC1-benzyl-5,5-dimethoxy-4-methylpiperidin-2-one;1-benzyl-4-methylpiperidine-2,5-dione;trimethoxymethane
SMILESCC1CC(=O)N(Cc2ccccc2)CC1=O.COC(OC)OC.COC1(OC)CN(Cc2ccccc2)C(=O)CC1C
InChIInChI=1S/C15H21NO3.C13H15NO2.C4H10O3/c1-12-9-14(17)16(11-15(12,18-2)19-3)10-13-7-5-4-6-8-13;1-10-7-13(16)14(9-12(10)15)8-11-5-3-2-4-6-11;1-5-4(6-2)7-3/h4-8,12H,9-11H2,1-3H3;2-6,10H,7-9H2,1H3;4H,1-3H3
InChIKeyFGVVIDNZVXMVQN-UHFFFAOYSA-N
MW586.73 g/mol
LogP3.88
Rot. Bonds9

About 1-benzyl-5,5-dimethoxy-4-methylpiperidin-2-one;1-benzyl-4-methylpiperidine-2,5-dione;trimethoxymethane

1-benzyl-5,5-dimethoxy-4-methylpiperidin-2-one;1-benzyl-4-methylpiperidine-2,5-dione;trimethoxymethane (PubChem CID 158028172) has the molecular formula C32H46N2O8 and a molecular weight of 586.73 g/mol. Its IUPAC name is 1-benzyl-5,5-dimethoxy-4-methylpiperidin-2-one;1-benzyl-4-methylpiperidine-2,5-dione;trimethoxymethane.

Molecular Properties

Compound Name1-benzyl-5,5-dimethoxy-4-methylpiperidin-2-one;1-benzyl-4-methylpiperidine-2,5-dione;trimethoxymethane
PubChem CID158028172
Molecular FormulaC32H46N2O8
Molecular Weight586.73 g/mol
Exact Mass586.33
IUPAC Name1-benzyl-5,5-dimethoxy-4-methylpiperidin-2-one;1-benzyl-4-methylpiperidine-2,5-dione;trimethoxymethane
SMILESCC1CC(=O)N(Cc2ccccc2)CC1=O.COC(OC)OC.COC1(OC)CN(Cc2ccccc2)C(=O)CC1C
InChIInChI=1S/C15H21NO3.C13H15NO2.C4H10O3/c1-12-9-14(17)16(11-15(12,18-2)19-3)10-13-7-5-4-6-8-13;1-10-7-13(16)14(9-12(10)15)8-11-5-3-2-4-6-11;1-5-4(6-2)7-3/h4-8,12H,9-11H2,1-3H3;2-6,10H,7-9H2,1H3;4H,1-3H3
InChIKeyFGVVIDNZVXMVQN-UHFFFAOYSA-N
XLogP3.88
TPSA103.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500586.73
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-4-(trideuteriomethyl)piperidine-2,5-dione
CID 59575729
(4R)-1-benzyl-4-hydroxy-4-methylpyrrolidin-2-one
CID 98042329
4-[(1S)-1-amino-2-methoxyethyl]-1-benzylpyrrolidin-2-one
CID 139782002
(4S,6S)-1-benzyl-4,6-dimethylpiperidin-3-one
CID 95242128
1-benzyl-4-(bromomethyl)pyrrolidin-2-one
CID 46703995
(4S)-1-benzyl-4-propan-2-ylpiperidin-2-one
CID 171430314
(1-benzyl-5-oxopyrrolidin-3-yl)methyl methanesulfonate
CID 71623233
4-benzyl-2,2,7,7-tetramethyl-1,4-diazepan-5-one
CID 57087301
ethyl 1-benzyl-3-(hydroxymethyl)-5-oxopyrrolidine-3-carboxylate
CID 83854421
1-benzyl-3,3-dimethyl-4-methylidenepyrrolidin-2-one
CID 11806087
1-benzyl-4-[(2R)-1,1-difluoropropan-2-yl]pyrrolidin-2-one
CID 141420568
(4S)-1-benzyl-4-[(1S)-1,2-dihydroxyethyl]pyrrolidin-2-one;(3S)-1-benzyl-5-oxopyrrolidine-3-carbaldehyde
CID 157458587

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5,5-dimethoxy-4-methylpiperidin-2-one;1-benzyl-4-methylpiperidine-2,5-dione;trimethoxymethane?
The IUPAC name of 1-benzyl-5,5-dimethoxy-4-methylpiperidin-2-one;1-benzyl-4-methylpiperidine-2,5-dione;trimethoxymethane (CID 158028172) is 1-benzyl-5,5-dimethoxy-4-methylpiperidin-2-one;1-benzyl-4-methylpiperidine-2,5-dione;trimethoxymethane.
What is the SMILES notation for 1-benzyl-5,5-dimethoxy-4-methylpiperidin-2-one;1-benzyl-4-methylpiperidine-2,5-dione;trimethoxymethane?
The canonical SMILES for 1-benzyl-5,5-dimethoxy-4-methylpiperidin-2-one;1-benzyl-4-methylpiperidine-2,5-dione;trimethoxymethane is CC1CC(=O)N(Cc2ccccc2)CC1=O.COC(OC)OC.COC1(OC)CN(Cc2ccccc2)C(=O)CC1C.
What is the InChIKey of 1-benzyl-5,5-dimethoxy-4-methylpiperidin-2-one;1-benzyl-4-methylpiperidine-2,5-dione;trimethoxymethane?
The InChIKey is FGVVIDNZVXMVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3.C13H15NO2.C4H10O3/c1-12-9-14(17)16(11-15(12,18-2)19-3)10-13-7-5-4-6-8-13;1-10-7-13(16)14(9-12(10)15)8-11-5-3-2-4-6-11;1-5-4(6-2)7-3/h4-8,12H,9-11H2,1-3H3;2-6,10H,7-9H2,1H3;4H,1-3H3.
What are the key properties of 1-benzyl-5,5-dimethoxy-4-methylpiperidin-2-one;1-benzyl-4-methylpiperidine-2,5-dione;trimethoxymethane?
1-benzyl-5,5-dimethoxy-4-methylpiperidin-2-one;1-benzyl-4-methylpiperidine-2,5-dione;trimethoxymethane has a molecular weight of 586.73 g/mol, XLogP of 3.88, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5,5-dimethoxy-4-methylpiperidin-2-one;1-benzyl-4-methylpiperidine-2,5-dione;trimethoxymethane is sourced from PubChem (CID 158028172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).