phenyl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone

C17H17NO2S — CID 2740735

IUPACphenyl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
SMILESO=C(c1ccccc1)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C17H17NO2S/c19-16(13-5-2-1-3-6-13)14-8-10-18(11-9-14)17(20)15-7-4-12-21-15/h1-7,12,14H,8-11H2
InChIKeyWRTGTGCLLZPFPF-UHFFFAOYSA-N
MW299.39 g/mol
LogP3.48
Rot. Bonds3

About phenyl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone

phenyl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone (PubChem CID 2740735) has the molecular formula C17H17NO2S and a molecular weight of 299.39 g/mol. Its IUPAC name is phenyl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Namephenyl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
PubChem CID2740735
Molecular FormulaC17H17NO2S
Molecular Weight299.39 g/mol
Exact Mass299.10
IUPAC Namephenyl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
SMILESO=C(c1ccccc1)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C17H17NO2S/c19-16(13-5-2-1-3-6-13)14-8-10-18(11-9-14)17(20)15-7-4-12-21-15/h1-7,12,14H,8-11H2
InChIKeyWRTGTGCLLZPFPF-UHFFFAOYSA-N
XLogP3.48
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze phenyl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone 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 phenyl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of phenyl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone (CID 2740735) is phenyl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for phenyl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for phenyl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone is O=C(c1ccccc1)C1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of phenyl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone?
The InChIKey is WRTGTGCLLZPFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c19-16(13-5-2-1-3-6-13)14-8-10-18(11-9-14)17(20)15-7-4-12-21-15/h1-7,12,14H,8-11H2.
What are the key properties of phenyl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone?
phenyl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone has a molecular weight of 299.39 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 2740735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).