1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-6-(fluoromethoxy)indol-3-yl]ethanone

C26H28FN3O2S — CID 71175869

IUPAC1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-6-(fluoromethoxy)indol-3-yl]ethanone
SMILESCC(=O)c1cn(CCCN2CCC(c3nc4ccccc4s3)CC2)c2cc(OCF)ccc12
InChIInChI=1S/C26H28FN3O2S/c1-18(31)22-16-30(24-15-20(32-17-27)7-8-21(22)24)12-4-11-29-13-9-19(10-14-29)26-28-23-5-2-3-6-25(23)33-26/h2-3,5-8,15-16,19H,4,9-14,17H2,1H3
InChIKeyXNPCUGWMMFWMFW-UHFFFAOYSA-N
MW465.59 g/mol
LogP6.03
Rot. Bonds8

About 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-6-(fluoromethoxy)indol-3-yl]ethanone

1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-6-(fluoromethoxy)indol-3-yl]ethanone (PubChem CID 71175869) has the molecular formula C26H28FN3O2S and a molecular weight of 465.59 g/mol. Its IUPAC name is 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-6-(fluoromethoxy)indol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-6-(fluoromethoxy)indol-3-yl]ethanone
PubChem CID71175869
Molecular FormulaC26H28FN3O2S
Molecular Weight465.59 g/mol
Exact Mass465.19
IUPAC Name1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-6-(fluoromethoxy)indol-3-yl]ethanone
SMILESCC(=O)c1cn(CCCN2CCC(c3nc4ccccc4s3)CC2)c2cc(OCF)ccc12
InChIInChI=1S/C26H28FN3O2S/c1-18(31)22-16-30(24-15-20(32-17-27)7-8-21(22)24)12-4-11-29-13-9-19(10-14-29)26-28-23-5-2-3-6-25(23)33-26/h2-3,5-8,15-16,19H,4,9-14,17H2,1H3
InChIKeyXNPCUGWMMFWMFW-UHFFFAOYSA-N
XLogP6.03
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.59
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-6-(fluoromethoxy)indol-3-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-6-(fluoromethoxy)indol-3-yl]ethanone?
The IUPAC name of 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-6-(fluoromethoxy)indol-3-yl]ethanone (CID 71175869) is 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-6-(fluoromethoxy)indol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-6-(fluoromethoxy)indol-3-yl]ethanone?
The canonical SMILES for 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-6-(fluoromethoxy)indol-3-yl]ethanone is CC(=O)c1cn(CCCN2CCC(c3nc4ccccc4s3)CC2)c2cc(OCF)ccc12.
What is the InChIKey of 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-6-(fluoromethoxy)indol-3-yl]ethanone?
The InChIKey is XNPCUGWMMFWMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O2S/c1-18(31)22-16-30(24-15-20(32-17-27)7-8-21(22)24)12-4-11-29-13-9-19(10-14-29)26-28-23-5-2-3-6-25(23)33-26/h2-3,5-8,15-16,19H,4,9-14,17H2,1H3.
What are the key properties of 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-6-(fluoromethoxy)indol-3-yl]ethanone?
1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-6-(fluoromethoxy)indol-3-yl]ethanone has a molecular weight of 465.59 g/mol, XLogP of 6.03, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-6-(fluoromethoxy)indol-3-yl]ethanone is sourced from PubChem (CID 71175869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).