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

C21H21NOS — CID 22083185

IUPAC1-benzothiophen-3-yl-(4-benzylpiperidin-1-yl)methanone
SMILESO=C(c1csc2ccccc12)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H21NOS/c23-21(19-15-24-20-9-5-4-8-18(19)20)22-12-10-17(11-13-22)14-16-6-2-1-3-7-16/h1-9,15,17H,10-14H2
InChIKeyHPHQPMCPZPKKPT-UHFFFAOYSA-N
MW335.47 g/mol
LogP5.00
Rot. Bonds3

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

1-benzothiophen-3-yl-(4-benzylpiperidin-1-yl)methanone (PubChem CID 22083185) has the molecular formula C21H21NOS and a molecular weight of 335.47 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-(4-benzylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name1-benzothiophen-3-yl-(4-benzylpiperidin-1-yl)methanone
PubChem CID22083185
Molecular FormulaC21H21NOS
Molecular Weight335.47 g/mol
Exact Mass335.13
IUPAC Name1-benzothiophen-3-yl-(4-benzylpiperidin-1-yl)methanone
SMILESO=C(c1csc2ccccc12)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H21NOS/c23-21(19-15-24-20-9-5-4-8-18(19)20)22-12-10-17(11-13-22)14-16-6-2-1-3-7-16/h1-9,15,17H,10-14H2
InChIKeyHPHQPMCPZPKKPT-UHFFFAOYSA-N
XLogP5.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 55.00
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-benzylpiperidin-1-yl)methanone?
The IUPAC name of 1-benzothiophen-3-yl-(4-benzylpiperidin-1-yl)methanone (CID 22083185) is 1-benzothiophen-3-yl-(4-benzylpiperidin-1-yl)methanone.
What is the SMILES notation for 1-benzothiophen-3-yl-(4-benzylpiperidin-1-yl)methanone?
The canonical SMILES for 1-benzothiophen-3-yl-(4-benzylpiperidin-1-yl)methanone is O=C(c1csc2ccccc12)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzothiophen-3-yl-(4-benzylpiperidin-1-yl)methanone?
The InChIKey is HPHQPMCPZPKKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NOS/c23-21(19-15-24-20-9-5-4-8-18(19)20)22-12-10-17(11-13-22)14-16-6-2-1-3-7-16/h1-9,15,17H,10-14H2.
What are the key properties of 1-benzothiophen-3-yl-(4-benzylpiperidin-1-yl)methanone?
1-benzothiophen-3-yl-(4-benzylpiperidin-1-yl)methanone has a molecular weight of 335.47 g/mol, XLogP of 5.00, 3 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-benzylpiperidin-1-yl)methanone is sourced from PubChem (CID 22083185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).