N-(2-thiophen-2-ylethyl)-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxamide

C16H21F3N2O3S — CID 86863889

IUPACN-(2-thiophen-2-ylethyl)-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxamide
SMILESO=C(NCCc1cccs1)C1CCN(C(=O)COCC(F)(F)F)CC1
InChIInChI=1S/C16H21F3N2O3S/c17-16(18,19)11-24-10-14(22)21-7-4-12(5-8-21)15(23)20-6-3-13-2-1-9-25-13/h1-2,9,12H,3-8,10-11H2,(H,20,23)
InChIKeyPVVZYYBGNKAARY-UHFFFAOYSA-N
MW378.42 g/mol
LogP2.22
Rot. Bonds7

About N-(2-thiophen-2-ylethyl)-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxamide

N-(2-thiophen-2-ylethyl)-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxamide (PubChem CID 86863889) has the molecular formula C16H21F3N2O3S and a molecular weight of 378.42 g/mol. Its IUPAC name is N-(2-thiophen-2-ylethyl)-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-thiophen-2-ylethyl)-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxamide
PubChem CID86863889
Molecular FormulaC16H21F3N2O3S
Molecular Weight378.42 g/mol
Exact Mass378.12
IUPAC NameN-(2-thiophen-2-ylethyl)-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxamide
SMILESO=C(NCCc1cccs1)C1CCN(C(=O)COCC(F)(F)F)CC1
InChIInChI=1S/C16H21F3N2O3S/c17-16(18,19)11-24-10-14(22)21-7-4-12(5-8-21)15(23)20-6-3-13-2-1-9-25-13/h1-2,9,12H,3-8,10-11H2,(H,20,23)
InChIKeyPVVZYYBGNKAARY-UHFFFAOYSA-N
XLogP2.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromobenzoyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 27770344
N-(2-thiophen-2-ylethyl)-1-[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidine-4-carboxamide
CID 60599914
1-[2-(9-oxoacridin-10-yl)acetyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 60599884
1-(furan-3-carbonyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 134048432
1-(2-hydroxy-2-methylpropyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 110932610
N-(2-thiophen-2-ylethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892471
1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carbohydrazide
CID 63588699
4-(2-thiophen-2-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784485
1-(2-amino-2-phenylacetyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 119308566
1-[(2S)-2-amino-3-methylbutanoyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride
CID 119308575
1-(3-piperidin-4-ylbutanoyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride
CID 119757737
1-[2-(methoxymethyl)benzoyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 60600032

Frequently Asked Questions

What is the IUPAC name of N-(2-thiophen-2-ylethyl)-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxamide?
The IUPAC name of N-(2-thiophen-2-ylethyl)-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxamide (CID 86863889) is N-(2-thiophen-2-ylethyl)-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-thiophen-2-ylethyl)-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-thiophen-2-ylethyl)-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxamide is O=C(NCCc1cccs1)C1CCN(C(=O)COCC(F)(F)F)CC1.
What is the InChIKey of N-(2-thiophen-2-ylethyl)-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxamide?
The InChIKey is PVVZYYBGNKAARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O3S/c17-16(18,19)11-24-10-14(22)21-7-4-12(5-8-21)15(23)20-6-3-13-2-1-9-25-13/h1-2,9,12H,3-8,10-11H2,(H,20,23).
What are the key properties of N-(2-thiophen-2-ylethyl)-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxamide?
N-(2-thiophen-2-ylethyl)-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxamide has a molecular weight of 378.42 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-2-ylethyl)-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 86863889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).