5-[2-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]ethyl]-3-(4-ethoxyphenyl)-1,3-oxazolidin-2-one

C25H30N2O5 — CID 15158346

IUPAC5-[2-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]ethyl]-3-(4-ethoxyphenyl)-1,3-oxazolidin-2-one
SMILESCCOc1ccc(N2CC(CCN3CCC(c4ccc5c(c4)OCO5)CC3)OC2=O)cc1
InChIInChI=1S/C25H30N2O5/c1-2-29-21-6-4-20(5-7-21)27-16-22(32-25(27)28)11-14-26-12-9-18(10-13-26)19-3-8-23-24(15-19)31-17-30-23/h3-8,15,18,22H,2,9-14,16-17H2,1H3
InChIKeyYYLJTFDDKHUVMK-UHFFFAOYSA-N
MW438.52 g/mol
LogP4.41
Rot. Bonds7

About 5-[2-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]ethyl]-3-(4-ethoxyphenyl)-1,3-oxazolidin-2-one

5-[2-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]ethyl]-3-(4-ethoxyphenyl)-1,3-oxazolidin-2-one (PubChem CID 15158346) has the molecular formula C25H30N2O5 and a molecular weight of 438.52 g/mol. Its IUPAC name is 5-[2-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]ethyl]-3-(4-ethoxyphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[2-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]ethyl]-3-(4-ethoxyphenyl)-1,3-oxazolidin-2-one
PubChem CID15158346
Molecular FormulaC25H30N2O5
Molecular Weight438.52 g/mol
Exact Mass438.22
IUPAC Name5-[2-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]ethyl]-3-(4-ethoxyphenyl)-1,3-oxazolidin-2-one
SMILESCCOc1ccc(N2CC(CCN3CCC(c4ccc5c(c4)OCO5)CC3)OC2=O)cc1
InChIInChI=1S/C25H30N2O5/c1-2-29-21-6-4-20(5-7-21)27-16-22(32-25(27)28)11-14-26-12-9-18(10-13-26)19-3-8-23-24(15-19)31-17-30-23/h3-8,15,18,22H,2,9-14,16-17H2,1H3
InChIKeyYYLJTFDDKHUVMK-UHFFFAOYSA-N
XLogP4.41
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[2-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]ethyl]-3-(4-ethoxyphenyl)-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]methyl]-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 15158332
5-[[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-yl]methyl]-3-(4-ethoxyphenyl)-1,3-oxazolidin-2-one
CID 19746121
(3S,4R)-3-amino-4-(1,3-benzodioxol-5-yl)-1-(4-ethoxyphenyl)azetidin-2-one
CID 124504201
3-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]propanoic acid
CID 94700040
2-(1,3-benzodioxol-5-yl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one
CID 13317425
5-[2-[3-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-1-yl]ethyl]-3-(4-chlorophenyl)-1,3-oxazolidin-2-one
CID 23028952
3-(4-cyclopropylphenyl)-5-hexyl-1,3-oxazolidin-2-one
CID 59580221
(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-[[3-(4-ethoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3H-1,3,4-oxadiazol-2-one
CID 177383234
[4-(1,3-benzodioxol-5-yl)-1-[[3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl] acetate
CID 19746138
[(5S)-3-(4-ethoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylthiourea
CID 139799629

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]ethyl]-3-(4-ethoxyphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-[2-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]ethyl]-3-(4-ethoxyphenyl)-1,3-oxazolidin-2-one (CID 15158346) is 5-[2-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]ethyl]-3-(4-ethoxyphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[2-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]ethyl]-3-(4-ethoxyphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[2-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]ethyl]-3-(4-ethoxyphenyl)-1,3-oxazolidin-2-one is CCOc1ccc(N2CC(CCN3CCC(c4ccc5c(c4)OCO5)CC3)OC2=O)cc1.
What is the InChIKey of 5-[2-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]ethyl]-3-(4-ethoxyphenyl)-1,3-oxazolidin-2-one?
The InChIKey is YYLJTFDDKHUVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5/c1-2-29-21-6-4-20(5-7-21)27-16-22(32-25(27)28)11-14-26-12-9-18(10-13-26)19-3-8-23-24(15-19)31-17-30-23/h3-8,15,18,22H,2,9-14,16-17H2,1H3.
What are the key properties of 5-[2-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]ethyl]-3-(4-ethoxyphenyl)-1,3-oxazolidin-2-one?
5-[2-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]ethyl]-3-(4-ethoxyphenyl)-1,3-oxazolidin-2-one has a molecular weight of 438.52 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]ethyl]-3-(4-ethoxyphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 15158346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).