phenyl-[5-(4-phenylphenyl)-2-piperidin-1-ylthiophen-3-yl]methanone

C28H25NOS — CID 132849019

IUPACphenyl-[5-(4-phenylphenyl)-2-piperidin-1-ylthiophen-3-yl]methanone
SMILESO=C(c1ccccc1)c1cc(-c2ccc(-c3ccccc3)cc2)sc1N1CCCCC1
InChIInChI=1S/C28H25NOS/c30-27(24-12-6-2-7-13-24)25-20-26(31-28(25)29-18-8-3-9-19-29)23-16-14-22(15-17-23)21-10-4-1-5-11-21/h1-2,4-7,10-17,20H,3,8-9,18-19H2
InChIKeyXDMBVTXYZBKBJG-UHFFFAOYSA-N
MW423.58 g/mol
LogP7.30
Rot. Bonds5

About phenyl-[5-(4-phenylphenyl)-2-piperidin-1-ylthiophen-3-yl]methanone

phenyl-[5-(4-phenylphenyl)-2-piperidin-1-ylthiophen-3-yl]methanone (PubChem CID 132849019) has the molecular formula C28H25NOS and a molecular weight of 423.58 g/mol. Its IUPAC name is phenyl-[5-(4-phenylphenyl)-2-piperidin-1-ylthiophen-3-yl]methanone.

Molecular Properties

Compound Namephenyl-[5-(4-phenylphenyl)-2-piperidin-1-ylthiophen-3-yl]methanone
PubChem CID132849019
Molecular FormulaC28H25NOS
Molecular Weight423.58 g/mol
Exact Mass423.17
IUPAC Namephenyl-[5-(4-phenylphenyl)-2-piperidin-1-ylthiophen-3-yl]methanone
SMILESO=C(c1ccccc1)c1cc(-c2ccc(-c3ccccc3)cc2)sc1N1CCCCC1
InChIInChI=1S/C28H25NOS/c30-27(24-12-6-2-7-13-24)25-20-26(31-28(25)29-18-8-3-9-19-29)23-16-14-22(15-17-23)21-10-4-1-5-11-21/h1-2,4-7,10-17,20H,3,8-9,18-19H2
InChIKeyXDMBVTXYZBKBJG-UHFFFAOYSA-N
XLogP7.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.58
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl-[5-(4-phenylphenyl)-2-piperidin-1-ylthiophen-3-yl]methanone?
The IUPAC name of phenyl-[5-(4-phenylphenyl)-2-piperidin-1-ylthiophen-3-yl]methanone (CID 132849019) is phenyl-[5-(4-phenylphenyl)-2-piperidin-1-ylthiophen-3-yl]methanone.
What is the SMILES notation for phenyl-[5-(4-phenylphenyl)-2-piperidin-1-ylthiophen-3-yl]methanone?
The canonical SMILES for phenyl-[5-(4-phenylphenyl)-2-piperidin-1-ylthiophen-3-yl]methanone is O=C(c1ccccc1)c1cc(-c2ccc(-c3ccccc3)cc2)sc1N1CCCCC1.
What is the InChIKey of phenyl-[5-(4-phenylphenyl)-2-piperidin-1-ylthiophen-3-yl]methanone?
The InChIKey is XDMBVTXYZBKBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NOS/c30-27(24-12-6-2-7-13-24)25-20-26(31-28(25)29-18-8-3-9-19-29)23-16-14-22(15-17-23)21-10-4-1-5-11-21/h1-2,4-7,10-17,20H,3,8-9,18-19H2.
What are the key properties of phenyl-[5-(4-phenylphenyl)-2-piperidin-1-ylthiophen-3-yl]methanone?
phenyl-[5-(4-phenylphenyl)-2-piperidin-1-ylthiophen-3-yl]methanone has a molecular weight of 423.58 g/mol, XLogP of 7.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[5-(4-phenylphenyl)-2-piperidin-1-ylthiophen-3-yl]methanone is sourced from PubChem (CID 132849019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).