5-[[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-yl]methyl]-3-(dimethylamino)-4-phenyl-1,3-oxazolidin-2-one

C24H29N3O5 — CID 152712630

IUPAC5-[[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-yl]methyl]-3-(dimethylamino)-4-phenyl-1,3-oxazolidin-2-one
SMILESCN(C)N1C(=O)OC(CN2CCC(O)(c3ccc4c(c3)OCO4)CC2)C1c1ccccc1
InChIInChI=1S/C24H29N3O5/c1-25(2)27-22(17-6-4-3-5-7-17)21(32-23(27)28)15-26-12-10-24(29,11-13-26)18-8-9-19-20(14-18)31-16-30-19/h3-9,14,21-22,29H,10-13,15-16H2,1-2H3
InChIKeyZTXRRSXNMURFKH-UHFFFAOYSA-N
MW439.51 g/mol
LogP2.74
Rot. Bonds5

About 5-[[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-yl]methyl]-3-(dimethylamino)-4-phenyl-1,3-oxazolidin-2-one

5-[[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-yl]methyl]-3-(dimethylamino)-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 152712630) has the molecular formula C24H29N3O5 and a molecular weight of 439.51 g/mol. Its IUPAC name is 5-[[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-yl]methyl]-3-(dimethylamino)-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-yl]methyl]-3-(dimethylamino)-4-phenyl-1,3-oxazolidin-2-one
PubChem CID152712630
Molecular FormulaC24H29N3O5
Molecular Weight439.51 g/mol
Exact Mass439.21
IUPAC Name5-[[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-yl]methyl]-3-(dimethylamino)-4-phenyl-1,3-oxazolidin-2-one
SMILESCN(C)N1C(=O)OC(CN2CCC(O)(c3ccc4c(c3)OCO4)CC2)C1c1ccccc1
InChIInChI=1S/C24H29N3O5/c1-25(2)27-22(17-6-4-3-5-7-17)21(32-23(27)28)15-26-12-10-24(29,11-13-26)18-8-9-19-20(14-18)31-16-30-19/h3-9,14,21-22,29H,10-13,15-16H2,1-2H3
InChIKeyZTXRRSXNMURFKH-UHFFFAOYSA-N
XLogP2.74
TPSA74.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(5S)-5-[[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 66694734
[4-[(5S)-5-[[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl] acetate
CID 15034740
5-[[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-yl]methyl]-3-(4-ethoxyphenyl)-1,3-oxazolidin-2-one
CID 19746121
4-(1,3-benzodioxol-5-yl)-1-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]piperidin-4-ol
CID 16673266
4-(1,3-benzodioxol-5-yl)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-ol
CID 16673100
4-(1,3-benzodioxol-5-yl)-1-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-ol
CID 51501356
4-(1,3-benzodioxol-5-yl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-ol
CID 46954921
1-[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-yl]-3-methyl-2-(2-methylphenyl)but-2-en-1-one
CID 143401022
N-(1,3-benzodioxol-5-ylmethyl)-5-[4-hydroxy-1-(2-methylpropyl)piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 25292202
4-[1-[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-yl]-2-hydroxyethyl]piperidine-1-carboxylic acid
CID 69378241
N-(1,3-benzodioxol-5-yl)-5-[4-hydroxy-1-[(2-methylphenyl)methyl]piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 26334405
4-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)sulfonylpiperidin-4-ol
CID 652940

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-yl]methyl]-3-(dimethylamino)-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-yl]methyl]-3-(dimethylamino)-4-phenyl-1,3-oxazolidin-2-one (CID 152712630) is 5-[[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-yl]methyl]-3-(dimethylamino)-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-yl]methyl]-3-(dimethylamino)-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-yl]methyl]-3-(dimethylamino)-4-phenyl-1,3-oxazolidin-2-one is CN(C)N1C(=O)OC(CN2CCC(O)(c3ccc4c(c3)OCO4)CC2)C1c1ccccc1.
What is the InChIKey of 5-[[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-yl]methyl]-3-(dimethylamino)-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is ZTXRRSXNMURFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5/c1-25(2)27-22(17-6-4-3-5-7-17)21(32-23(27)28)15-26-12-10-24(29,11-13-26)18-8-9-19-20(14-18)31-16-30-19/h3-9,14,21-22,29H,10-13,15-16H2,1-2H3.
What are the key properties of 5-[[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-yl]methyl]-3-(dimethylamino)-4-phenyl-1,3-oxazolidin-2-one?
5-[[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-yl]methyl]-3-(dimethylamino)-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 439.51 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-yl]methyl]-3-(dimethylamino)-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 152712630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).