1-benzothiophen-3-yl-(4-phenylpiperidin-1-yl)methanone

C20H19NOS — CID 24660190

IUPAC1-benzothiophen-3-yl-(4-phenylpiperidin-1-yl)methanone
SMILESO=C(c1csc2ccccc12)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C20H19NOS/c22-20(18-14-23-19-9-5-4-8-17(18)19)21-12-10-16(11-13-21)15-6-2-1-3-7-15/h1-9,14,16H,10-13H2
InChIKeyHPFUYDDYJYUBED-UHFFFAOYSA-N
MW321.45 g/mol
LogP4.92
Rot. Bonds2

About 1-benzothiophen-3-yl-(4-phenylpiperidin-1-yl)methanone

1-benzothiophen-3-yl-(4-phenylpiperidin-1-yl)methanone (PubChem CID 24660190) has the molecular formula C20H19NOS and a molecular weight of 321.45 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-(4-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name1-benzothiophen-3-yl-(4-phenylpiperidin-1-yl)methanone
PubChem CID24660190
Molecular FormulaC20H19NOS
Molecular Weight321.45 g/mol
Exact Mass321.12
IUPAC Name1-benzothiophen-3-yl-(4-phenylpiperidin-1-yl)methanone
SMILESO=C(c1csc2ccccc12)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C20H19NOS/c22-20(18-14-23-19-9-5-4-8-17(18)19)21-12-10-16(11-13-21)15-6-2-1-3-7-15/h1-9,14,16H,10-13H2
InChIKeyHPFUYDDYJYUBED-UHFFFAOYSA-N
XLogP4.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-(4-phenylpiperidin-1-yl)methanone?
The IUPAC name of 1-benzothiophen-3-yl-(4-phenylpiperidin-1-yl)methanone (CID 24660190) is 1-benzothiophen-3-yl-(4-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for 1-benzothiophen-3-yl-(4-phenylpiperidin-1-yl)methanone?
The canonical SMILES for 1-benzothiophen-3-yl-(4-phenylpiperidin-1-yl)methanone is O=C(c1csc2ccccc12)N1CCC(c2ccccc2)CC1.
What is the InChIKey of 1-benzothiophen-3-yl-(4-phenylpiperidin-1-yl)methanone?
The InChIKey is HPFUYDDYJYUBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NOS/c22-20(18-14-23-19-9-5-4-8-17(18)19)21-12-10-16(11-13-21)15-6-2-1-3-7-15/h1-9,14,16H,10-13H2.
What are the key properties of 1-benzothiophen-3-yl-(4-phenylpiperidin-1-yl)methanone?
1-benzothiophen-3-yl-(4-phenylpiperidin-1-yl)methanone has a molecular weight of 321.45 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl-(4-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 24660190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).