[1-[[6-(1,3-benzothiazol-2-yloxy)-1H-indol-3-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone

C26H28N4O3S — CID 59577684

IUPAC[1-[[6-(1,3-benzothiazol-2-yloxy)-1H-indol-3-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCN(Cc2c[nH]c3cc(Oc4nc5ccccc5s4)ccc23)CC1)N1CCOCC1
InChIInChI=1S/C26H28N4O3S/c31-25(30-11-13-32-14-12-30)18-7-9-29(10-8-18)17-19-16-27-23-15-20(5-6-21(19)23)33-26-28-22-3-1-2-4-24(22)34-26/h1-6,15-16,18,27H,7-14,17H2
InChIKeyONOQJQIAWCLRNG-UHFFFAOYSA-N
MW476.60 g/mol
LogP4.64
Rot. Bonds5

About [1-[[6-(1,3-benzothiazol-2-yloxy)-1H-indol-3-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone

[1-[[6-(1,3-benzothiazol-2-yloxy)-1H-indol-3-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 59577684) has the molecular formula C26H28N4O3S and a molecular weight of 476.60 g/mol. Its IUPAC name is [1-[[6-(1,3-benzothiazol-2-yloxy)-1H-indol-3-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[[6-(1,3-benzothiazol-2-yloxy)-1H-indol-3-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone
PubChem CID59577684
Molecular FormulaC26H28N4O3S
Molecular Weight476.60 g/mol
Exact Mass476.19
IUPAC Name[1-[[6-(1,3-benzothiazol-2-yloxy)-1H-indol-3-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCN(Cc2c[nH]c3cc(Oc4nc5ccccc5s4)ccc23)CC1)N1CCOCC1
InChIInChI=1S/C26H28N4O3S/c31-25(30-11-13-32-14-12-30)18-7-9-29(10-8-18)17-19-16-27-23-15-20(5-6-21(19)23)33-26-28-22-3-1-2-4-24(22)34-26/h1-6,15-16,18,27H,7-14,17H2
InChIKeyONOQJQIAWCLRNG-UHFFFAOYSA-N
XLogP4.64
TPSA70.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[[6-(1,3-benzothiazol-2-yloxy)-1H-indol-3-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[[6-(1,3-benzothiazol-2-yloxy)-1H-indol-3-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone (CID 59577684) is [1-[[6-(1,3-benzothiazol-2-yloxy)-1H-indol-3-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[[6-(1,3-benzothiazol-2-yloxy)-1H-indol-3-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[[6-(1,3-benzothiazol-2-yloxy)-1H-indol-3-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone is O=C(C1CCN(Cc2c[nH]c3cc(Oc4nc5ccccc5s4)ccc23)CC1)N1CCOCC1.
What is the InChIKey of [1-[[6-(1,3-benzothiazol-2-yloxy)-1H-indol-3-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is ONOQJQIAWCLRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3S/c31-25(30-11-13-32-14-12-30)18-7-9-29(10-8-18)17-19-16-27-23-15-20(5-6-21(19)23)33-26-28-22-3-1-2-4-24(22)34-26/h1-6,15-16,18,27H,7-14,17H2.
What are the key properties of [1-[[6-(1,3-benzothiazol-2-yloxy)-1H-indol-3-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone?
[1-[[6-(1,3-benzothiazol-2-yloxy)-1H-indol-3-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 476.60 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[6-(1,3-benzothiazol-2-yloxy)-1H-indol-3-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 59577684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).