(4S)-3,3-dimethyl-N-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)piperidine-1-carboxamide

C15H21F3N2OS — CID 124855638

IUPAC(4S)-3,3-dimethyl-N-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESCC1(C)CN(C(=O)NCCc2cccs2)CC[C@@H]1C(F)(F)F
InChIInChI=1S/C15H21F3N2OS/c1-14(2)10-20(8-6-12(14)15(16,17)18)13(21)19-7-5-11-4-3-9-22-11/h3-4,9,12H,5-8,10H2,1-2H3,(H,19,21)/t12-/m0/s1
InChIKeyZLCWORYNHMGBSB-LBPRGKRZSA-N
MW334.41 g/mol
LogP3.91
Rot. Bonds3

About (4S)-3,3-dimethyl-N-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)piperidine-1-carboxamide

(4S)-3,3-dimethyl-N-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 124855638) has the molecular formula C15H21F3N2OS and a molecular weight of 334.41 g/mol. Its IUPAC name is (4S)-3,3-dimethyl-N-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(4S)-3,3-dimethyl-N-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID124855638
Molecular FormulaC15H21F3N2OS
Molecular Weight334.41 g/mol
Exact Mass334.13
IUPAC Name(4S)-3,3-dimethyl-N-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESCC1(C)CN(C(=O)NCCc2cccs2)CC[C@@H]1C(F)(F)F
InChIInChI=1S/C15H21F3N2OS/c1-14(2)10-20(8-6-12(14)15(16,17)18)13(21)19-7-5-11-4-3-9-22-11/h3-4,9,12H,5-8,10H2,1-2H3,(H,19,21)/t12-/m0/s1
InChIKeyZLCWORYNHMGBSB-LBPRGKRZSA-N
XLogP3.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-hydroxy-3,3,4-trimethyl-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide
CID 133110763
3-propyl-1-(2-thiophen-2-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63145705
(4S)-N-(1,3-benzodioxol-4-ylmethyl)-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide
CID 124844398
(4R)-N-[[2-(ethoxymethyl)phenyl]methyl]-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide
CID 124732054
4-(thiophene-2-carbonyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
CID 121496273
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride
CID 120774618
2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 81493901
2,4-dimethyl-N-(2-thiophen-2-ylethyl)morpholine-2-carboxamide
CID 73439515
3-[4-(2-thiophen-2-ylethylcarbamoyl)piperazin-1-yl]propanoic acid
CID 61190024
1-methyl-1-(1-methylpiperidin-4-yl)-3-(2-thiophen-2-ylethyl)urea
CID 59684905
N-(2-thiophen-2-ylethyl)-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxamide
CID 86863889
3-methyl-2-oxo-N-(2-thiophen-2-ylethyl)-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
CID 119071596

Frequently Asked Questions

What is the IUPAC name of (4S)-3,3-dimethyl-N-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of (4S)-3,3-dimethyl-N-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)piperidine-1-carboxamide (CID 124855638) is (4S)-3,3-dimethyl-N-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for (4S)-3,3-dimethyl-N-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for (4S)-3,3-dimethyl-N-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)piperidine-1-carboxamide is CC1(C)CN(C(=O)NCCc2cccs2)CC[C@@H]1C(F)(F)F.
What is the InChIKey of (4S)-3,3-dimethyl-N-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is ZLCWORYNHMGBSB-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21F3N2OS/c1-14(2)10-20(8-6-12(14)15(16,17)18)13(21)19-7-5-11-4-3-9-22-11/h3-4,9,12H,5-8,10H2,1-2H3,(H,19,21)/t12-/m0/s1.
What are the key properties of (4S)-3,3-dimethyl-N-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)piperidine-1-carboxamide?
(4S)-3,3-dimethyl-N-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 334.41 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3,3-dimethyl-N-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 124855638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).