N,N-dimethyl-4-oxo-4-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]butanamide

C20H27F3N2O2 — CID 42510380

IUPACN,N-dimethyl-4-oxo-4-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]butanamide
SMILESCN(C)C(=O)CCC(=O)N1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C20H27F3N2O2/c1-24(2)18(26)11-12-19(27)25-13-5-6-15(14-25)9-10-16-7-3-4-8-17(16)20(21,22)23/h3-4,7-8,15H,5-6,9-14H2,1-2H3/t15-/m0/s1
InChIKeyDFYKJWAUQNAFLS-HNNXBMFYSA-N
MW384.44 g/mol
LogP3.74
Rot. Bonds6

About N,N-dimethyl-4-oxo-4-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]butanamide

N,N-dimethyl-4-oxo-4-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]butanamide (PubChem CID 42510380) has the molecular formula C20H27F3N2O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is N,N-dimethyl-4-oxo-4-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]butanamide.

Molecular Properties

Compound NameN,N-dimethyl-4-oxo-4-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]butanamide
PubChem CID42510380
Molecular FormulaC20H27F3N2O2
Molecular Weight384.44 g/mol
Exact Mass384.20
IUPAC NameN,N-dimethyl-4-oxo-4-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]butanamide
SMILESCN(C)C(=O)CCC(=O)N1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C20H27F3N2O2/c1-24(2)18(26)11-12-19(27)25-13-5-6-15(14-25)9-10-16-7-3-4-8-17(16)20(21,22)23/h3-4,7-8,15H,5-6,9-14H2,1-2H3/t15-/m0/s1
InChIKeyDFYKJWAUQNAFLS-HNNXBMFYSA-N
XLogP3.74
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propan-1-one
CID 95136879
2-hydroxy-1-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone
CID 56866872
2-methyl-1-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propan-1-one
CID 50976131
2-(4-methylpyrazol-1-yl)-1-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone
CID 56867276
(3S)-N-ethyl-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
CID 95714573
N-[2-oxo-2-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]methanesulfonamide
CID 56880960
N-methyl-N-propan-2-yl-2-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]acetamide
CID 56915391
2-pyridin-3-yl-1-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone
CID 56881048
2-(2-ethylimidazol-1-yl)-1-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone
CID 95502354
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
(1-ethylpyrazol-4-yl)-[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 95556642

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-oxo-4-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]butanamide?
The IUPAC name of N,N-dimethyl-4-oxo-4-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]butanamide (CID 42510380) is N,N-dimethyl-4-oxo-4-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]butanamide.
What is the SMILES notation for N,N-dimethyl-4-oxo-4-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]butanamide?
The canonical SMILES for N,N-dimethyl-4-oxo-4-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]butanamide is CN(C)C(=O)CCC(=O)N1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1.
What is the InChIKey of N,N-dimethyl-4-oxo-4-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]butanamide?
The InChIKey is DFYKJWAUQNAFLS-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H27F3N2O2/c1-24(2)18(26)11-12-19(27)25-13-5-6-15(14-25)9-10-16-7-3-4-8-17(16)20(21,22)23/h3-4,7-8,15H,5-6,9-14H2,1-2H3/t15-/m0/s1.
What are the key properties of N,N-dimethyl-4-oxo-4-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]butanamide?
N,N-dimethyl-4-oxo-4-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]butanamide has a molecular weight of 384.44 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-oxo-4-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]butanamide is sourced from PubChem (CID 42510380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).