N-ethyl-3-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propanamide

C19H27F3N2O — CID 95720669

IUPACN-ethyl-3-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propanamide
SMILESCCNC(=O)CCN1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C19H27F3N2O/c1-2-23-18(25)11-13-24-12-5-6-15(14-24)9-10-16-7-3-4-8-17(16)19(20,21)22/h3-4,7-8,15H,2,5-6,9-14H2,1H3,(H,23,25)/t15-/m0/s1
InChIKeyILVDOUXBPABZTA-HNNXBMFYSA-N
MW356.43 g/mol
LogP3.88
Rot. Bonds7

About N-ethyl-3-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propanamide

N-ethyl-3-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propanamide (PubChem CID 95720669) has the molecular formula C19H27F3N2O and a molecular weight of 356.43 g/mol. Its IUPAC name is N-ethyl-3-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propanamide
PubChem CID95720669
Molecular FormulaC19H27F3N2O
Molecular Weight356.43 g/mol
Exact Mass356.21
IUPAC NameN-ethyl-3-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propanamide
SMILESCCNC(=O)CCN1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C19H27F3N2O/c1-2-23-18(25)11-13-24-12-5-6-15(14-24)9-10-16-7-3-4-8-17(16)19(20,21)22/h3-4,7-8,15H,2,5-6,9-14H2,1H3,(H,23,25)/t15-/m0/s1
InChIKeyILVDOUXBPABZTA-HNNXBMFYSA-N
XLogP3.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-ethyl-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
CID 95714573
N-methyl-2-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]acetamide
CID 95714450
3-[(3R)-1-methylpiperidin-3-yl]-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide
CID 97203525
1-[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propan-1-one
CID 95136879
N-methyl-N-propan-2-yl-2-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]acetamide
CID 56915391
2-methyl-1-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propan-1-one
CID 50976131
N-ethyl-5-[[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyrimidin-2-amine
CID 95553794
N-methyl-5-[[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]furan-2-carboxamide
CID 95708474
2-hydroxy-1-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone
CID 56866872
3-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]propanoic acid
CID 95722232
N,N-dimethyl-4-oxo-4-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]butanamide
CID 42510380
4-[[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridine
CID 95545419

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propanamide?
The IUPAC name of N-ethyl-3-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propanamide (CID 95720669) is N-ethyl-3-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propanamide.
What is the SMILES notation for N-ethyl-3-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propanamide?
The canonical SMILES for N-ethyl-3-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propanamide is CCNC(=O)CCN1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1.
What is the InChIKey of N-ethyl-3-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propanamide?
The InChIKey is ILVDOUXBPABZTA-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H27F3N2O/c1-2-23-18(25)11-13-24-12-5-6-15(14-24)9-10-16-7-3-4-8-17(16)19(20,21)22/h3-4,7-8,15H,2,5-6,9-14H2,1H3,(H,23,25)/t15-/m0/s1.
What are the key properties of N-ethyl-3-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propanamide?
N-ethyl-3-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propanamide has a molecular weight of 356.43 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propanamide is sourced from PubChem (CID 95720669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).