N-[4-(2-ethylpiperidin-1-yl)phenyl]thiophene-2-carboxamide

C18H22N2OS — CID 112985429

IUPACN-[4-(2-ethylpiperidin-1-yl)phenyl]thiophene-2-carboxamide
SMILESCCC1CCCCN1c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C18H22N2OS/c1-2-15-6-3-4-12-20(15)16-10-8-14(9-11-16)19-18(21)17-7-5-13-22-17/h5,7-11,13,15H,2-4,6,12H2,1H3,(H,19,21)
InChIKeyFJMMMYKUBKFFHO-UHFFFAOYSA-N
MW314.45 g/mol
LogP4.77
Rot. Bonds4

About N-[4-(2-ethylpiperidin-1-yl)phenyl]thiophene-2-carboxamide

N-[4-(2-ethylpiperidin-1-yl)phenyl]thiophene-2-carboxamide (PubChem CID 112985429) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is N-[4-(2-ethylpiperidin-1-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-ethylpiperidin-1-yl)phenyl]thiophene-2-carboxamide
PubChem CID112985429
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC NameN-[4-(2-ethylpiperidin-1-yl)phenyl]thiophene-2-carboxamide
SMILESCCC1CCCCN1c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C18H22N2OS/c1-2-15-6-3-4-12-20(15)16-10-8-14(9-11-16)19-18(21)17-7-5-13-22-17/h5,7-11,13,15H,2-4,6,12H2,1H3,(H,19,21)
InChIKeyFJMMMYKUBKFFHO-UHFFFAOYSA-N
XLogP4.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(2-ethylpiperidin-1-yl)-3-pyridinyl]thiophene-2-carboxamide
CID 113015495
N-[4-(2-ethylpiperidin-1-yl)phenyl]cyclopropanecarboxamide
CID 112985422
N-[4-(2-ethylpiperidin-1-yl)phenyl]-2-methylpropanamide
CID 112985421
N-[4-(2-ethylpiperidin-1-yl)phenyl]-3-methoxybenzamide
CID 112985435
N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]thiophene-2-carboxamide
CID 1056022
N-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
CID 7341667
N-(4-chlorophenyl)-5-(2-ethylpiperidin-1-yl)pyridine-2-carboxamide
CID 109196262
N-[4-(2-ethylpiperidin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 112985450
N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]thiophene-2-carboxamide
CID 100803273
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide
CID 78795052
N-[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 47143464
N-[4-(cyclohexylamino)phenyl]thiophene-2-carboxamide
CID 112980718

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethylpiperidin-1-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(2-ethylpiperidin-1-yl)phenyl]thiophene-2-carboxamide (CID 112985429) is N-[4-(2-ethylpiperidin-1-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(2-ethylpiperidin-1-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(2-ethylpiperidin-1-yl)phenyl]thiophene-2-carboxamide is CCC1CCCCN1c1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-(2-ethylpiperidin-1-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is FJMMMYKUBKFFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-2-15-6-3-4-12-20(15)16-10-8-14(9-11-16)19-18(21)17-7-5-13-22-17/h5,7-11,13,15H,2-4,6,12H2,1H3,(H,19,21).
What are the key properties of N-[4-(2-ethylpiperidin-1-yl)phenyl]thiophene-2-carboxamide?
N-[4-(2-ethylpiperidin-1-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 314.45 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethylpiperidin-1-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 112985429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).