(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

C26H32N2O6 — CID 77105522

About (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

(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 (PubChem CID 77105522) has the molecular formula C26H32N2O6 and a molecular weight of 468.55 g/mol. Its IUPAC name is (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.

Molecular Properties

• Compound Name: (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
• PubChem CID: 77105522
• Molecular Formula: C26H32N2O6
• Molecular Weight: 468.55 g/mol
• Exact Mass: 468.23
• IUPAC Name: (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
• SMILES: O=C1OC[C@@H](COc2ccc(O)cc2)N1CCC1CCN(C[C@H]2COc3ccccc3O2)CC1
• InChI: InChI=1S/C26H32N2O6/c29-21-5-7-22(8-6-21)31-16-20-17-33-26(30)28(20)14-11-19-9-12-27(13-10-19)15-23-18-32-24-3-1-2-4-25(24)34-23/h1-8,19-20,23,29H,9-18H2/t20-,23+/m1/s1
• InChIKey: ARJRDNGVESIBHL-OFNKIYASSA-N
• XLogP: 3.53
• TPSA: 80.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.55
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (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?

The IUPAC name of (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) is (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.

What is the SMILES notation for (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?

The canonical SMILES for (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 is O=C1OC[C@@H](COc2ccc(O)cc2)N1CCC1CCN(C[C@H]2COc3ccccc3O2)CC1.

What is the InChIKey of (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?

The InChIKey is ARJRDNGVESIBHL-OFNKIYASSA-N. The full InChI is InChI=1S/C26H32N2O6/c29-21-5-7-22(8-6-21)31-16-20-17-33-26(30)28(20)14-11-19-9-12-27(13-10-19)15-23-18-32-24-3-1-2-4-25(24)34-23/h1-8,19-20,23,29H,9-18H2/t20-,23+/m1/s1.

What are the key properties of (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?

(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 has a molecular weight of 468.55 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (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 is sourced from PubChem (CID 77105522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).