(3S)-N-ethyl-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide

C17H23F3N2O — CID 95714573

IUPAC(3S)-N-ethyl-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC[C@H](CCc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C17H23F3N2O/c1-2-21-16(23)22-11-5-6-13(12-22)9-10-14-7-3-4-8-15(14)17(18,19)20/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,21,23)/t13-/m1/s1
InChIKeyDFDHIZUHLYCZBQ-CYBMUJFWSA-N
MW328.38 g/mol
LogP4.08
Rot. Bonds4

About (3S)-N-ethyl-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide

(3S)-N-ethyl-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide (PubChem CID 95714573) has the molecular formula C17H23F3N2O and a molecular weight of 328.38 g/mol. Its IUPAC name is (3S)-N-ethyl-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-ethyl-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
PubChem CID95714573
Molecular FormulaC17H23F3N2O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC Name(3S)-N-ethyl-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC[C@H](CCc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C17H23F3N2O/c1-2-21-16(23)22-11-5-6-13(12-22)9-10-14-7-3-4-8-15(14)17(18,19)20/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,21,23)/t13-/m1/s1
InChIKeyDFDHIZUHLYCZBQ-CYBMUJFWSA-N
XLogP4.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propan-1-one
CID 95136879
2-methyl-1-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propan-1-one
CID 50976131
2-hydroxy-1-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone
CID 56866872
N-ethyl-3-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propanamide
CID 95720669
N-[2-oxo-2-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]methanesulfonamide
CID 56880960
(1-ethylpyrazol-4-yl)-[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 95556642
N,N-dimethyl-4-oxo-4-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]butanamide
CID 42510380
(4-methyl-1H-pyrrol-2-yl)-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 95476360
1H-pyrazol-5-yl-[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 95399020
pyridin-2-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 56861683
3-[(carbamoylamino)methyl]-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
CID 166185990
(3-ethyl-1,2-oxazol-5-yl)-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 56879117

Frequently Asked Questions

What is the IUPAC name of (3S)-N-ethyl-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide?
The IUPAC name of (3S)-N-ethyl-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide (CID 95714573) is (3S)-N-ethyl-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-ethyl-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-ethyl-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide is CCNC(=O)N1CCC[C@H](CCc2ccccc2C(F)(F)F)C1.
What is the InChIKey of (3S)-N-ethyl-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide?
The InChIKey is DFDHIZUHLYCZBQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23F3N2O/c1-2-21-16(23)22-11-5-6-13(12-22)9-10-14-7-3-4-8-15(14)17(18,19)20/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,21,23)/t13-/m1/s1.
What are the key properties of (3S)-N-ethyl-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide?
(3S)-N-ethyl-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-ethyl-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 95714573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).