5,5-dimethyl-3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione

C19H24N2O5 — CID 31134282

IUPAC5,5-dimethyl-3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione
SMILESCC1(C)OC(=O)N(CC(=O)N2CCC(OCc3ccccc3)CC2)C1=O
InChIInChI=1S/C19H24N2O5/c1-19(2)17(23)21(18(24)26-19)12-16(22)20-10-8-15(9-11-20)25-13-14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3
InChIKeyXOVQBEYZVWFKSH-UHFFFAOYSA-N
MW360.41 g/mol
LogP1.95
Rot. Bonds5

About 5,5-dimethyl-3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione

5,5-dimethyl-3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione (PubChem CID 31134282) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is 5,5-dimethyl-3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione
PubChem CID31134282
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Name5,5-dimethyl-3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione
SMILESCC1(C)OC(=O)N(CC(=O)N2CCC(OCc3ccccc3)CC2)C1=O
InChIInChI=1S/C19H24N2O5/c1-19(2)17(23)21(18(24)26-19)12-16(22)20-10-8-15(9-11-20)25-13-14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3
InChIKeyXOVQBEYZVWFKSH-UHFFFAOYSA-N
XLogP1.95
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5,5-dimethyl-3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione with MolForge

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Related Compounds

3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1,3-diazinane-2,4-dione
CID 30868663
5,5-dimethyl-3-[2-oxo-2-(2-phenylazetidin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione
CID 72933399
2-(4-hydroxyphenyl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
CID 78828531
2-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1H-pyridazine-3,6-dione
CID 71899333
5,5-dimethyl-3-[2-oxo-2-(3-phenylpiperazin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione;hydrochloride
CID 154899739
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
CID 70744688
N-methyl-4-phenylmethoxypiperidine-1-carboxamide
CID 131216132
5,5-dimethyl-3-[2-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidine-2,4-dione
CID 72848064
2-(2-methylindol-1-yl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
CID 46448492
4-phenylmethoxyazepane-1-carboxylic acid
CID 77320736
3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione
CID 72924241
5,5-dimethyl-3-(2-phenylmethoxyethyl)-1,3-oxazolidine-2,4-dione
CID 72841415

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione (CID 31134282) is 5,5-dimethyl-3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione is CC1(C)OC(=O)N(CC(=O)N2CCC(OCc3ccccc3)CC2)C1=O.
What is the InChIKey of 5,5-dimethyl-3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is XOVQBEYZVWFKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-19(2)17(23)21(18(24)26-19)12-16(22)20-10-8-15(9-11-20)25-13-14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3.
What are the key properties of 5,5-dimethyl-3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione?
5,5-dimethyl-3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 360.41 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 31134282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).