(4S)-4-[[3-[3-[4-[[(1R)-2-hydroxy-1-phenylethyl]amino]piperidin-1-yl]propyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one

C28H36N4O3 — CID 10552573

IUPAC(4S)-4-[[3-[3-[4-[[(1R)-2-hydroxy-1-phenylethyl]amino]piperidin-1-yl]propyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](Cc2ccc3[nH]cc(CCCN4CCC(N[C@@H](CO)c5ccccc5)CC4)c3c2)CO1
InChIInChI=1S/C28H36N4O3/c33-18-27(21-5-2-1-3-6-21)30-23-10-13-32(14-11-23)12-4-7-22-17-29-26-9-8-20(16-25(22)26)15-24-19-35-28(34)31-24/h1-3,5-6,8-9,16-17,23-24,27,29-30,33H,4,7,10-15,18-19H2,(H,31,34)/t24-,27-/m0/s1
InChIKeyDQJKSFYXHBCHPB-IGKIAQTJSA-N
MW476.62 g/mol
LogP3.54
Rot. Bonds10

About (4S)-4-[[3-[3-[4-[[(1R)-2-hydroxy-1-phenylethyl]amino]piperidin-1-yl]propyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one

(4S)-4-[[3-[3-[4-[[(1R)-2-hydroxy-1-phenylethyl]amino]piperidin-1-yl]propyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one (PubChem CID 10552573) has the molecular formula C28H36N4O3 and a molecular weight of 476.62 g/mol. Its IUPAC name is (4S)-4-[[3-[3-[4-[[(1R)-2-hydroxy-1-phenylethyl]amino]piperidin-1-yl]propyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[[3-[3-[4-[[(1R)-2-hydroxy-1-phenylethyl]amino]piperidin-1-yl]propyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
PubChem CID10552573
Molecular FormulaC28H36N4O3
Molecular Weight476.62 g/mol
Exact Mass476.28
IUPAC Name(4S)-4-[[3-[3-[4-[[(1R)-2-hydroxy-1-phenylethyl]amino]piperidin-1-yl]propyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](Cc2ccc3[nH]cc(CCCN4CCC(N[C@@H](CO)c5ccccc5)CC4)c3c2)CO1
InChIInChI=1S/C28H36N4O3/c33-18-27(21-5-2-1-3-6-21)30-23-10-13-32(14-11-23)12-4-7-22-17-29-26-9-8-20(16-25(22)26)15-24-19-35-28(34)31-24/h1-3,5-6,8-9,16-17,23-24,27,29-30,33H,4,7,10-15,18-19H2,(H,31,34)/t24-,27-/m0/s1
InChIKeyDQJKSFYXHBCHPB-IGKIAQTJSA-N
XLogP3.54
TPSA89.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.62
LogP ≤ 53.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (4S)-4-[[3-[3-[4-[[(1R)-2-hydroxy-1-phenylethyl]amino]piperidin-1-yl]propyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[[3-[3-[4-[[(1R)-2-hydroxy-1-phenylethyl]amino]piperidin-1-yl]propyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-[[3-[3-[4-[[(1R)-2-hydroxy-1-phenylethyl]amino]piperidin-1-yl]propyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one (CID 10552573) is (4S)-4-[[3-[3-[4-[[(1R)-2-hydroxy-1-phenylethyl]amino]piperidin-1-yl]propyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-[[3-[3-[4-[[(1R)-2-hydroxy-1-phenylethyl]amino]piperidin-1-yl]propyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-[[3-[3-[4-[[(1R)-2-hydroxy-1-phenylethyl]amino]piperidin-1-yl]propyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one is O=C1N[C@@H](Cc2ccc3[nH]cc(CCCN4CCC(N[C@@H](CO)c5ccccc5)CC4)c3c2)CO1.
What is the InChIKey of (4S)-4-[[3-[3-[4-[[(1R)-2-hydroxy-1-phenylethyl]amino]piperidin-1-yl]propyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is DQJKSFYXHBCHPB-IGKIAQTJSA-N. The full InChI is InChI=1S/C28H36N4O3/c33-18-27(21-5-2-1-3-6-21)30-23-10-13-32(14-11-23)12-4-7-22-17-29-26-9-8-20(16-25(22)26)15-24-19-35-28(34)31-24/h1-3,5-6,8-9,16-17,23-24,27,29-30,33H,4,7,10-15,18-19H2,(H,31,34)/t24-,27-/m0/s1.
What are the key properties of (4S)-4-[[3-[3-[4-[[(1R)-2-hydroxy-1-phenylethyl]amino]piperidin-1-yl]propyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one?
(4S)-4-[[3-[3-[4-[[(1R)-2-hydroxy-1-phenylethyl]amino]piperidin-1-yl]propyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 476.62 g/mol, XLogP of 3.54, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[[3-[3-[4-[[(1R)-2-hydroxy-1-phenylethyl]amino]piperidin-1-yl]propyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 10552573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).