N-(2-ethylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

C19H22N2O2S — CID 1075536

IUPACN-(2-ethylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C19H22N2O2S/c1-2-14-6-3-4-7-16(14)20-18(22)15-9-11-21(12-10-15)19(23)17-8-5-13-24-17/h3-8,13,15H,2,9-12H2,1H3,(H,20,22)
InChIKeyKKTPVVCARRYZMG-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.80
Rot. Bonds4

About N-(2-ethylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

N-(2-ethylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 1075536) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-(2-ethylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID1075536
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC NameN-(2-ethylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C19H22N2O2S/c1-2-14-6-3-4-7-16(14)20-18(22)15-9-11-21(12-10-15)19(23)17-8-5-13-24-17/h3-8,13,15H,2,9-12H2,1H3,(H,20,22)
InChIKeyKKTPVVCARRYZMG-UHFFFAOYSA-N
XLogP3.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 1075536) is N-(2-ethylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is CCc1ccccc1NC(=O)C1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of N-(2-ethylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is KKTPVVCARRYZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-2-14-6-3-4-7-16(14)20-18(22)15-9-11-21(12-10-15)19(23)17-8-5-13-24-17/h3-8,13,15H,2,9-12H2,1H3,(H,20,22).
What are the key properties of N-(2-ethylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
N-(2-ethylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 342.46 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 1075536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).