[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

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

[1-[[6-(1,3-benzothiazol-2-yloxy)-1H-indol-3-yl]methyl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 59577568
tert-butyl 5-[[6-(1,3-benzothiazol-2-yloxy)-1H-indol-3-yl]methyl]-1,3,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-2-carboxylate
CID 68773931
[3-(morpholin-4-ylmethyl)-1H-indol-6-yl] acetate
CID 68770660
1-[1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1H-indol-3-yl]methyl]piperidin-4-yl]pyrrolidin-2-one
CID 59577371
1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidine-4-carboxamide;dihydrochloride
CID 69147289
[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 151591767
[1-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 42457414
3-(1,3-benzothiazol-2-yl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 17495119
[1-(1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 56810173
4-(1,3-benzothiazol-2-yl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one
CID 38490766
[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 2187036
1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-amine
CID 11279222

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).