3-phenyl-4-[2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-2-yl]-1,3-oxazolidin-2-one

C21H32N2O3 — CID 177426343

IUPAC3-phenyl-4-[2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-2-yl]-1,3-oxazolidin-2-one
SMILESCC(C)(ON1C(C)(C)CCCC1(C)C)C1COC(=O)N1c1ccccc1
InChIInChI=1S/C21H32N2O3/c1-19(2)13-10-14-20(3,4)23(19)26-21(5,6)17-15-25-18(24)22(17)16-11-8-7-9-12-16/h7-9,11-12,17H,10,13-15H2,1-6H3
InChIKeyWMHQTEQDOPUMIP-UHFFFAOYSA-N
MW360.50 g/mol
LogP4.77
Rot. Bonds4

About 3-phenyl-4-[2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-2-yl]-1,3-oxazolidin-2-one

3-phenyl-4-[2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-2-yl]-1,3-oxazolidin-2-one (PubChem CID 177426343) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is 3-phenyl-4-[2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-phenyl-4-[2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-2-yl]-1,3-oxazolidin-2-one
PubChem CID177426343
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Name3-phenyl-4-[2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-2-yl]-1,3-oxazolidin-2-one
SMILESCC(C)(ON1C(C)(C)CCCC1(C)C)C1COC(=O)N1c1ccccc1
InChIInChI=1S/C21H32N2O3/c1-19(2)13-10-14-20(3,4)23(19)26-21(5,6)17-15-25-18(24)22(17)16-11-8-7-9-12-16/h7-9,11-12,17H,10,13-15H2,1-6H3
InChIKeyWMHQTEQDOPUMIP-UHFFFAOYSA-N
XLogP4.77
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-phenyl-4-[2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-2-yl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

4-(azetidin-1-yl)-3-phenyl-1,3-oxazolidin-2-one
CID 70198670
(4S)-4-ethenyl-3-phenyl-1,3-oxazolidin-2-one
CID 129362731
4-(4,4-difluoropiperidin-1-yl)-3-phenyl-1,3-oxazolidin-2-one
CID 68698578
CID 162411162
CID 162411162
4-nitro-3-phenyl-1,3-oxazolidin-2-one
CID 54515958
2-oxo-3-phenyl-1,3-oxazinane-4-carboxylic acid
CID 83849659
(2-oxo-3-phenyl-1,3-oxazolidin-4-yl)methyl 2-methylprop-2-enoate
CID 15157046
tert-butyl (2R,3S,4R)-2-methyl-1-[(1R)-1-phenylethyl]-4-[2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-2-yl]pyrrolidine-3-carboxylate
CID 164684956
(4S)-4-benzyl-3-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyacetyl]-1,3-oxazolidin-2-one
CID 10765976
CID 137252116
CID 137252116
sodium;hydride;2,2,6,6-tetramethyl-1-phenylpiperidine
CID 175329536
3,4,5-trimethyl-5-(2,2,6,6-tetramethylpiperidin-1-yl)oxyfuran-2-one
CID 139598364

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4-[2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-phenyl-4-[2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-2-yl]-1,3-oxazolidin-2-one (CID 177426343) is 3-phenyl-4-[2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-phenyl-4-[2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-phenyl-4-[2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-2-yl]-1,3-oxazolidin-2-one is CC(C)(ON1C(C)(C)CCCC1(C)C)C1COC(=O)N1c1ccccc1.
What is the InChIKey of 3-phenyl-4-[2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is WMHQTEQDOPUMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-19(2)13-10-14-20(3,4)23(19)26-21(5,6)17-15-25-18(24)22(17)16-11-8-7-9-12-16/h7-9,11-12,17H,10,13-15H2,1-6H3.
What are the key properties of 3-phenyl-4-[2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-2-yl]-1,3-oxazolidin-2-one?
3-phenyl-4-[2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 360.50 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4-[2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 177426343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).