1-(1-benzothiophen-3-yl)-3-[4-(1H-indol-4-yl)piperazin-1-yl]propan-1-ol

C23H25N3OS — CID 10159609

IUPAC1-(1-benzothiophen-3-yl)-3-[4-(1H-indol-4-yl)piperazin-1-yl]propan-1-ol
SMILESOC(CCN1CCN(c2cccc3[nH]ccc23)CC1)c1csc2ccccc12
InChIInChI=1S/C23H25N3OS/c27-22(19-16-28-23-7-2-1-4-17(19)23)9-11-25-12-14-26(15-13-25)21-6-3-5-20-18(21)8-10-24-20/h1-8,10,16,22,24,27H,9,11-15H2
InChIKeyYGFDAPGDLKIWDD-UHFFFAOYSA-N
MW391.54 g/mol
LogP4.63
Rot. Bonds5

About 1-(1-benzothiophen-3-yl)-3-[4-(1H-indol-4-yl)piperazin-1-yl]propan-1-ol

1-(1-benzothiophen-3-yl)-3-[4-(1H-indol-4-yl)piperazin-1-yl]propan-1-ol (PubChem CID 10159609) has the molecular formula C23H25N3OS and a molecular weight of 391.54 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-3-[4-(1H-indol-4-yl)piperazin-1-yl]propan-1-ol.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-3-[4-(1H-indol-4-yl)piperazin-1-yl]propan-1-ol
PubChem CID10159609
Molecular FormulaC23H25N3OS
Molecular Weight391.54 g/mol
Exact Mass391.17
IUPAC Name1-(1-benzothiophen-3-yl)-3-[4-(1H-indol-4-yl)piperazin-1-yl]propan-1-ol
SMILESOC(CCN1CCN(c2cccc3[nH]ccc23)CC1)c1csc2ccccc12
InChIInChI=1S/C23H25N3OS/c27-22(19-16-28-23-7-2-1-4-17(19)23)9-11-25-12-14-26(15-13-25)21-6-3-5-20-18(21)8-10-24-20/h1-8,10,16,22,24,27H,9,11-15H2
InChIKeyYGFDAPGDLKIWDD-UHFFFAOYSA-N
XLogP4.63
TPSA42.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-3-[4-(1H-indol-4-yl)piperazin-1-yl]propan-1-ol?
The IUPAC name of 1-(1-benzothiophen-3-yl)-3-[4-(1H-indol-4-yl)piperazin-1-yl]propan-1-ol (CID 10159609) is 1-(1-benzothiophen-3-yl)-3-[4-(1H-indol-4-yl)piperazin-1-yl]propan-1-ol.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-3-[4-(1H-indol-4-yl)piperazin-1-yl]propan-1-ol?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-3-[4-(1H-indol-4-yl)piperazin-1-yl]propan-1-ol is OC(CCN1CCN(c2cccc3[nH]ccc23)CC1)c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-3-[4-(1H-indol-4-yl)piperazin-1-yl]propan-1-ol?
The InChIKey is YGFDAPGDLKIWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3OS/c27-22(19-16-28-23-7-2-1-4-17(19)23)9-11-25-12-14-26(15-13-25)21-6-3-5-20-18(21)8-10-24-20/h1-8,10,16,22,24,27H,9,11-15H2.
What are the key properties of 1-(1-benzothiophen-3-yl)-3-[4-(1H-indol-4-yl)piperazin-1-yl]propan-1-ol?
1-(1-benzothiophen-3-yl)-3-[4-(1H-indol-4-yl)piperazin-1-yl]propan-1-ol has a molecular weight of 391.54 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-3-[4-(1H-indol-4-yl)piperazin-1-yl]propan-1-ol is sourced from PubChem (CID 10159609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).