N-(2,6-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

C19H22N2O2S — CID 1075575

IUPACN-(2,6-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C19H22N2O2S/c1-13-5-3-6-14(2)17(13)20-18(22)15-8-10-21(11-9-15)19(23)16-7-4-12-24-16/h3-7,12,15H,8-11H2,1-2H3,(H,20,22)
InChIKeyXVYRXSQXYFTKKJ-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.86
Rot. Bonds3

About N-(2,6-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

N-(2,6-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 1075575) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID1075575
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC NameN-(2,6-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C19H22N2O2S/c1-13-5-3-6-14(2)17(13)20-18(22)15-8-10-21(11-9-15)19(23)16-7-4-12-24-16/h3-7,12,15H,8-11H2,1-2H3,(H,20,22)
InChIKeyXVYRXSQXYFTKKJ-UHFFFAOYSA-N
XLogP3.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 1075575) is N-(2,6-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is Cc1cccc(C)c1NC(=O)C1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of N-(2,6-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is XVYRXSQXYFTKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-13-5-3-6-14(2)17(13)20-18(22)15-8-10-21(11-9-15)19(23)16-7-4-12-24-16/h3-7,12,15H,8-11H2,1-2H3,(H,20,22).
What are the key properties of N-(2,6-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
N-(2,6-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 342.46 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 1075575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).