1-benzothiophen-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone

C18H17N3OS — CID 753206

IUPAC1-benzothiophen-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1csc2ccccc12)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H17N3OS/c22-18(15-13-23-16-6-2-1-5-14(15)16)21-11-9-20(10-12-21)17-7-3-4-8-19-17/h1-8,13H,9-12H2
InChIKeyGCGAEQQLDFSEDI-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.26
Rot. Bonds2

About 1-benzothiophen-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone

1-benzothiophen-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 753206) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name1-benzothiophen-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID753206
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name1-benzothiophen-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1csc2ccccc12)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H17N3OS/c22-18(15-13-23-16-6-2-1-5-14(15)16)21-11-9-20(10-12-21)17-7-3-4-8-19-17/h1-8,13H,9-12H2
InChIKeyGCGAEQQLDFSEDI-UHFFFAOYSA-N
XLogP3.26
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of 1-benzothiophen-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 753206) is 1-benzothiophen-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for 1-benzothiophen-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for 1-benzothiophen-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(c1csc2ccccc12)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-benzothiophen-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is GCGAEQQLDFSEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c22-18(15-13-23-16-6-2-1-5-14(15)16)21-11-9-20(10-12-21)17-7-3-4-8-19-17/h1-8,13H,9-12H2.
What are the key properties of 1-benzothiophen-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone?
1-benzothiophen-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 323.42 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 753206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).