3-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-4-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one

C27H34N2O5 — CID 90273091

IUPAC3-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-4-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(CC2COC(=O)N2CCC2CCN(CC3COc4ccccc4O3)CC2)cc1
InChIInChI=1S/C27H34N2O5/c1-31-23-8-6-21(7-9-23)16-22-18-33-27(30)29(22)15-12-20-10-13-28(14-11-20)17-24-19-32-25-4-2-3-5-26(25)34-24/h2-9,20,22,24H,10-19H2,1H3
InChIKeyBRNPRLWFXFPQAR-UHFFFAOYSA-N
MW466.58 g/mol
LogP4.00
Rot. Bonds8

About 3-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-4-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one

3-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-4-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one (PubChem CID 90273091) has the molecular formula C27H34N2O5 and a molecular weight of 466.58 g/mol. Its IUPAC name is 3-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-4-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-4-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
PubChem CID90273091
Molecular FormulaC27H34N2O5
Molecular Weight466.58 g/mol
Exact Mass466.25
IUPAC Name3-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-4-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(CC2COC(=O)N2CCC2CCN(CC3COc4ccccc4O3)CC2)cc1
InChIInChI=1S/C27H34N2O5/c1-31-23-8-6-21(7-9-23)16-22-18-33-27(30)29(22)15-12-20-10-13-28(14-11-20)17-24-19-32-25-4-2-3-5-26(25)34-24/h2-9,20,22,24H,10-19H2,1H3
InChIKeyBRNPRLWFXFPQAR-UHFFFAOYSA-N
XLogP4.00
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-4-[(4-methoxyphenyl)methyl]-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

(4S)-4-benzyl-3-[2-[1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-yl]ethyl]-1,3-oxazolidin-2-one;sulfane
CID 159611400
(4S)-3-[2-[1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-yl]ethyl]-4-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 90273112
(4S)-3-[3-[1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-yl]propyl]-4-[(3,4-dimethoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 118531901
(4S)-4-benzyl-3-[2-[1-[(6-bromo-7-methoxy-2,3-dihydro-1,4-benzodioxin-2-yl)methyl]piperidin-4-yl]ethyl]-1,3-oxazolidin-2-one
CID 122679417
(4S)-3-[3-[1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-yl]propyl]-4-[(4-hydroxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 118531900
(4S)-4-benzyl-3-[2-[1-[[(3S)-6-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-yl]ethyl]-1,3-oxazolidin-2-one;sulfane
CID 159781108
(4S)-4-benzyl-3-[2-[1-[[(2S)-6-hydroxy-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]piperidin-4-yl]ethyl]-1,3-oxazolidin-2-one
CID 77107335
(4R)-3-[2-[1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-yl]ethyl]-4-[(4-hydroxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 77105522
1-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-3-(4-methoxyphenyl)urea
CID 10741057
(3S)-3-[[4-[2-[4-[(4-hydroxyphenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl]ethyl]piperidin-1-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carbonitrile
CID 144663381
2-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]isoindole-1,3-dione
CID 10811319
1-benzyl-3-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]imidazolidin-2-one
CID 15839670

Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-4-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-4-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one (CID 90273091) is 3-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-4-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-4-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-4-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one is COc1ccc(CC2COC(=O)N2CCC2CCN(CC3COc4ccccc4O3)CC2)cc1.
What is the InChIKey of 3-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-4-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is BRNPRLWFXFPQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O5/c1-31-23-8-6-21(7-9-23)16-22-18-33-27(30)29(22)15-12-20-10-13-28(14-11-20)17-24-19-32-25-4-2-3-5-26(25)34-24/h2-9,20,22,24H,10-19H2,1H3.
What are the key properties of 3-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-4-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one?
3-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-4-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 466.58 g/mol, XLogP of 4.00, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]-4-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 90273091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).