3-[2-[1-[[(2S)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]piperidin-4-yl]ethyl]-1,3-oxazolidin-2-one

C26H32N2O5 — CID 144663448

IUPAC3-[2-[1-[[(2S)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]piperidin-4-yl]ethyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CCC1CCN(C[C@H]2COc3cc(OCc4ccccc4)ccc3O2)CC1
InChIInChI=1S/C26H32N2O5/c29-26-28(14-15-30-26)13-10-20-8-11-27(12-9-20)17-23-19-32-25-16-22(6-7-24(25)33-23)31-18-21-4-2-1-3-5-21/h1-7,16,20,23H,8-15,17-19H2/t23-/m0/s1
InChIKeySQDBGUKRMWQYSW-QHCPKHFHSA-N
MW452.55 g/mol
LogP3.96
Rot. Bonds8

About 3-[2-[1-[[(2S)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]piperidin-4-yl]ethyl]-1,3-oxazolidin-2-one

3-[2-[1-[[(2S)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]piperidin-4-yl]ethyl]-1,3-oxazolidin-2-one (PubChem CID 144663448) has the molecular formula C26H32N2O5 and a molecular weight of 452.55 g/mol. Its IUPAC name is 3-[2-[1-[[(2S)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]piperidin-4-yl]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[1-[[(2S)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]piperidin-4-yl]ethyl]-1,3-oxazolidin-2-one
PubChem CID144663448
Molecular FormulaC26H32N2O5
Molecular Weight452.55 g/mol
Exact Mass452.23
IUPAC Name3-[2-[1-[[(2S)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]piperidin-4-yl]ethyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CCC1CCN(C[C@H]2COc3cc(OCc4ccccc4)ccc3O2)CC1
InChIInChI=1S/C26H32N2O5/c29-26-28(14-15-30-26)13-10-20-8-11-27(12-9-20)17-23-19-32-25-16-22(6-7-24(25)33-23)31-18-21-4-2-1-3-5-21/h1-7,16,20,23H,8-15,17-19H2/t23-/m0/s1
InChIKeySQDBGUKRMWQYSW-QHCPKHFHSA-N
XLogP3.96
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.55
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[2-[1-[[(2S)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]piperidin-4-yl]ethyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(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
(3S)-3-[[4-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidin-1-yl]methyl]-2,3-dihydro-1,4-benzodioxine-5-carbonitrile
CID 77106327
1-benzyl-3-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]imidazolidin-2-one
CID 15839670
(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
(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
(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
2-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]isoindole-1,3-dione
CID 10811319
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
(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)-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
1-benzyl-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-amine
CID 139348054
3-[3-[1-[[(2S)-7-chloro-5-fluoro-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]piperidin-4-yl]propyl]-1,3-oxazolidin-2-one
CID 77105923

Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-[[(2S)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]piperidin-4-yl]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[1-[[(2S)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]piperidin-4-yl]ethyl]-1,3-oxazolidin-2-one (CID 144663448) is 3-[2-[1-[[(2S)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]piperidin-4-yl]ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[1-[[(2S)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]piperidin-4-yl]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[1-[[(2S)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]piperidin-4-yl]ethyl]-1,3-oxazolidin-2-one is O=C1OCCN1CCC1CCN(C[C@H]2COc3cc(OCc4ccccc4)ccc3O2)CC1.
What is the InChIKey of 3-[2-[1-[[(2S)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]piperidin-4-yl]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is SQDBGUKRMWQYSW-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H32N2O5/c29-26-28(14-15-30-26)13-10-20-8-11-27(12-9-20)17-23-19-32-25-16-22(6-7-24(25)33-23)31-18-21-4-2-1-3-5-21/h1-7,16,20,23H,8-15,17-19H2/t23-/m0/s1.
What are the key properties of 3-[2-[1-[[(2S)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]piperidin-4-yl]ethyl]-1,3-oxazolidin-2-one?
3-[2-[1-[[(2S)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]piperidin-4-yl]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 452.55 g/mol, XLogP of 3.96, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-[[(2S)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]piperidin-4-yl]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 144663448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).