1-(1H-indol-4-yloxy)-3-[(2R,4S)-2-methyl-4-(6-methyl-1-benzothiophen-2-yl)piperidin-1-yl]propan-2-ol

C26H30N2O2S — CID 142071984

IUPAC1-(1H-indol-4-yloxy)-3-[(2R,4S)-2-methyl-4-(6-methyl-1-benzothiophen-2-yl)piperidin-1-yl]propan-2-ol
SMILESCc1ccc2cc([C@H]3CCN(CC(O)COc4cccc5[nH]ccc45)[C@H](C)C3)sc2c1
InChIInChI=1S/C26H30N2O2S/c1-17-6-7-19-14-26(31-25(19)12-17)20-9-11-28(18(2)13-20)15-21(29)16-30-24-5-3-4-23-22(24)8-10-27-23/h3-8,10,12,14,18,20-21,27,29H,9,11,13,15-16H2,1-2H3/t18-,20+,21?/m1/s1
InChIKeyOCNYAGTUKGAQCN-LGWYJFNUSA-N
MW434.61 g/mol
LogP5.70
Rot. Bonds6

About 1-(1H-indol-4-yloxy)-3-[(2R,4S)-2-methyl-4-(6-methyl-1-benzothiophen-2-yl)piperidin-1-yl]propan-2-ol

1-(1H-indol-4-yloxy)-3-[(2R,4S)-2-methyl-4-(6-methyl-1-benzothiophen-2-yl)piperidin-1-yl]propan-2-ol (PubChem CID 142071984) has the molecular formula C26H30N2O2S and a molecular weight of 434.61 g/mol. Its IUPAC name is 1-(1H-indol-4-yloxy)-3-[(2R,4S)-2-methyl-4-(6-methyl-1-benzothiophen-2-yl)piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(1H-indol-4-yloxy)-3-[(2R,4S)-2-methyl-4-(6-methyl-1-benzothiophen-2-yl)piperidin-1-yl]propan-2-ol
PubChem CID142071984
Molecular FormulaC26H30N2O2S
Molecular Weight434.61 g/mol
Exact Mass434.20
IUPAC Name1-(1H-indol-4-yloxy)-3-[(2R,4S)-2-methyl-4-(6-methyl-1-benzothiophen-2-yl)piperidin-1-yl]propan-2-ol
SMILESCc1ccc2cc([C@H]3CCN(CC(O)COc4cccc5[nH]ccc45)[C@H](C)C3)sc2c1
InChIInChI=1S/C26H30N2O2S/c1-17-6-7-19-14-26(31-25(19)12-17)20-9-11-28(18(2)13-20)15-21(29)16-30-24-5-3-4-23-22(24)8-10-27-23/h3-8,10,12,14,18,20-21,27,29H,9,11,13,15-16H2,1-2H3/t18-,20+,21?/m1/s1
InChIKeyOCNYAGTUKGAQCN-LGWYJFNUSA-N
XLogP5.70
TPSA48.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.61
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1H-indol-4-yloxy)-3-[(2R,4S)-2-methyl-4-(6-methyl-1-benzothiophen-2-yl)piperidin-1-yl]propan-2-ol 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

(2S)-1-[(2-methyl-1H-indol-4-yl)oxy]-3-[(2R,4R)-2-methyl-4-(6-methyl-1-benzothiophen-2-yl)piperidin-1-yl]propan-2-ol
CID 58760064
(2S)-1-[(2S,4S)-4-(6-fluoro-1-benzothiophen-2-yl)-2-methylpiperidin-1-yl]-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol
CID 58760038
1-[(2S)-4-(6-methoxy-1-benzothiophen-2-yl)-2-methylpiperidin-1-yl]-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol
CID 142072024
(2S)-1-(1H-indol-4-yloxy)-3-[(2S,4R)-2-methyl-4-naphthalen-2-ylpiperidin-1-yl]propan-2-ol
CID 58759993
(2S)-1-[(2S,4R)-4-(5-chloro-1-benzothiophen-2-yl)-2-methylpiperidin-1-yl]-3-[(2-methyl-1-benzofuran-4-yl)oxy]propan-2-ol
CID 59124161
1-(1-benzofuran-4-yloxy)-3-[4-(6-methoxy-1-benzothiophen-2-yl)-2-methylpiperidin-1-yl]propan-2-ol;2-hydroxyprop-2-enoic acid
CID 142071930
(2S)-1-[(2S,4R)-4-(4,5-dimethoxy-1-benzothiophen-2-yl)-2-methylpiperidin-1-yl]-3-(1H-indol-5-yloxy)propan-2-ol
CID 101341719
(2S)-1-[(2S,4S)-4-(8-methoxynaphthalen-2-yl)-2-methylpiperidin-1-yl]-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol
CID 58760092
1-[(2S)-4-(8-methoxynaphthalen-2-yl)-2-methylpiperidin-1-yl]-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol
CID 142072036
N-[4-[(2S)-2-hydroxy-3-[(2R,4R)-4-(4-methoxy-1-benzothiophen-2-yl)-2-methylpiperidin-1-yl]propoxy]-1H-indol-2-yl]formamide;oxalic acid
CID 87888474
N-[4-[(2S)-2-hydroxy-3-[(2R,4S)-4-(4-methoxy-1-benzothiophen-2-yl)-2-methylpiperidin-1-yl]propoxy]-1H-indol-2-yl]formamide;oxalic acid
CID 87888726
(2R,4S)-1-[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]-2-methyl-4-[4-(trifluoromethyl)-1-benzothiophen-2-yl]piperidin-4-ol
CID 58760119

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-4-yloxy)-3-[(2R,4S)-2-methyl-4-(6-methyl-1-benzothiophen-2-yl)piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-(1H-indol-4-yloxy)-3-[(2R,4S)-2-methyl-4-(6-methyl-1-benzothiophen-2-yl)piperidin-1-yl]propan-2-ol (CID 142071984) is 1-(1H-indol-4-yloxy)-3-[(2R,4S)-2-methyl-4-(6-methyl-1-benzothiophen-2-yl)piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(1H-indol-4-yloxy)-3-[(2R,4S)-2-methyl-4-(6-methyl-1-benzothiophen-2-yl)piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-(1H-indol-4-yloxy)-3-[(2R,4S)-2-methyl-4-(6-methyl-1-benzothiophen-2-yl)piperidin-1-yl]propan-2-ol is Cc1ccc2cc([C@H]3CCN(CC(O)COc4cccc5[nH]ccc45)[C@H](C)C3)sc2c1.
What is the InChIKey of 1-(1H-indol-4-yloxy)-3-[(2R,4S)-2-methyl-4-(6-methyl-1-benzothiophen-2-yl)piperidin-1-yl]propan-2-ol?
The InChIKey is OCNYAGTUKGAQCN-LGWYJFNUSA-N. The full InChI is InChI=1S/C26H30N2O2S/c1-17-6-7-19-14-26(31-25(19)12-17)20-9-11-28(18(2)13-20)15-21(29)16-30-24-5-3-4-23-22(24)8-10-27-23/h3-8,10,12,14,18,20-21,27,29H,9,11,13,15-16H2,1-2H3/t18-,20+,21?/m1/s1.
What are the key properties of 1-(1H-indol-4-yloxy)-3-[(2R,4S)-2-methyl-4-(6-methyl-1-benzothiophen-2-yl)piperidin-1-yl]propan-2-ol?
1-(1H-indol-4-yloxy)-3-[(2R,4S)-2-methyl-4-(6-methyl-1-benzothiophen-2-yl)piperidin-1-yl]propan-2-ol has a molecular weight of 434.61 g/mol, XLogP of 5.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-4-yloxy)-3-[(2R,4S)-2-methyl-4-(6-methyl-1-benzothiophen-2-yl)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 142071984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).