[1-(thiophene-2-carbonyl)piperidin-4-yl]-(2,4,6-trimethylphenyl)methanone

C20H23NO2S — CID 2741900

IUPAC[1-(thiophene-2-carbonyl)piperidin-4-yl]-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)C2CCN(C(=O)c3cccs3)CC2)c(C)c1
InChIInChI=1S/C20H23NO2S/c1-13-11-14(2)18(15(3)12-13)19(22)16-6-8-21(9-7-16)20(23)17-5-4-10-24-17/h4-5,10-12,16H,6-9H2,1-3H3
InChIKeyNQDZVNDFQVSFST-UHFFFAOYSA-N
MW341.48 g/mol
LogP4.41
Rot. Bonds3

About [1-(thiophene-2-carbonyl)piperidin-4-yl]-(2,4,6-trimethylphenyl)methanone

[1-(thiophene-2-carbonyl)piperidin-4-yl]-(2,4,6-trimethylphenyl)methanone (PubChem CID 2741900) has the molecular formula C20H23NO2S and a molecular weight of 341.48 g/mol. Its IUPAC name is [1-(thiophene-2-carbonyl)piperidin-4-yl]-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name[1-(thiophene-2-carbonyl)piperidin-4-yl]-(2,4,6-trimethylphenyl)methanone
PubChem CID2741900
Molecular FormulaC20H23NO2S
Molecular Weight341.48 g/mol
Exact Mass341.14
IUPAC Name[1-(thiophene-2-carbonyl)piperidin-4-yl]-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)C2CCN(C(=O)c3cccs3)CC2)c(C)c1
InChIInChI=1S/C20H23NO2S/c1-13-11-14(2)18(15(3)12-13)19(22)16-6-8-21(9-7-16)20(23)17-5-4-10-24-17/h4-5,10-12,16H,6-9H2,1-3H3
InChIKeyNQDZVNDFQVSFST-UHFFFAOYSA-N
XLogP4.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(thiophene-2-carbonyl)piperidin-4-yl]-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of [1-(thiophene-2-carbonyl)piperidin-4-yl]-(2,4,6-trimethylphenyl)methanone (CID 2741900) is [1-(thiophene-2-carbonyl)piperidin-4-yl]-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for [1-(thiophene-2-carbonyl)piperidin-4-yl]-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for [1-(thiophene-2-carbonyl)piperidin-4-yl]-(2,4,6-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)C2CCN(C(=O)c3cccs3)CC2)c(C)c1.
What is the InChIKey of [1-(thiophene-2-carbonyl)piperidin-4-yl]-(2,4,6-trimethylphenyl)methanone?
The InChIKey is NQDZVNDFQVSFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2S/c1-13-11-14(2)18(15(3)12-13)19(22)16-6-8-21(9-7-16)20(23)17-5-4-10-24-17/h4-5,10-12,16H,6-9H2,1-3H3.
What are the key properties of [1-(thiophene-2-carbonyl)piperidin-4-yl]-(2,4,6-trimethylphenyl)methanone?
[1-(thiophene-2-carbonyl)piperidin-4-yl]-(2,4,6-trimethylphenyl)methanone has a molecular weight of 341.48 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(thiophene-2-carbonyl)piperidin-4-yl]-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 2741900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).