N-[2-oxo-2-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]acetamide

C18H23F3N2O2 — CID 45228216

IUPACN-[2-oxo-2-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCCC(CCc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C18H23F3N2O2/c1-13(24)22-11-17(25)23-10-4-5-14(12-23)8-9-15-6-2-3-7-16(15)18(19,20)21/h2-3,6-7,14H,4-5,8-12H2,1H3,(H,22,24)
InChIKeyXKEWKHLEOSHWMJ-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.01
Rot. Bonds5

About N-[2-oxo-2-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]acetamide

N-[2-oxo-2-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]acetamide (PubChem CID 45228216) has the molecular formula C18H23F3N2O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is N-[2-oxo-2-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-oxo-2-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]acetamide
PubChem CID45228216
Molecular FormulaC18H23F3N2O2
Molecular Weight356.39 g/mol
Exact Mass356.17
IUPAC NameN-[2-oxo-2-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCCC(CCc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C18H23F3N2O2/c1-13(24)22-11-17(25)23-10-4-5-14(12-23)8-9-15-6-2-3-7-16(15)18(19,20)21/h2-3,6-7,14H,4-5,8-12H2,1H3,(H,22,24)
InChIKeyXKEWKHLEOSHWMJ-UHFFFAOYSA-N
XLogP3.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,3-Diphenylpropylamino)acetamide
CID 6603827
N-Phenethyl-N'-(2,2,6,6-tetramethyl-piperidin-4-yl)-oxalamide
CID 1875372
N-((1-phenylcyclopentyl)methyl)-2-(piperidin-1-yl)acetamide hydrochloride
CID 16192743
2-Amino-1-[4-(3-phenyl-propyl)-piperazin-1-yl]-ethanone
CID 401844
(S)-4-methyl-2-(methylamino)pentanoic acid [4,4-bis(4-fluorophenyl)butyl]amide hydrochloride
CID 9823702
2-[[2-[4-[5-Fluoro-2-(trifluoromethyl)phenyl]phenyl]cyclopropyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 57397741
1-(4-methylpiperazin-1-yl)-2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethanone
CID 67379019
(3S,6S)-3-isobutyl-4-((1R,2R)-2-phenylcyclopropanecarbonyl)-6-propylpiperazin-2-one
CID 68158563
(3S,6S)-3,6-diisobutyl-4-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperazin-2-one
CID 68158619
CID 76313916
CID 76313916
N2-Acetyl-N-(2-phenylethyl)glycinamide
CID 11830974
(E)-N-(2-{4-[Methyl(2-methylcyclohexyl)amino]piperidino}-2-oxoethyl)-3-(2-methylphenyl)-2-propenamide
CID 16193538

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-oxo-2-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]acetamide (CID 45228216) is N-[2-oxo-2-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-oxo-2-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-oxo-2-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]acetamide is CC(=O)NCC(=O)N1CCCC(CCc2ccccc2C(F)(F)F)C1.
What is the InChIKey of N-[2-oxo-2-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]acetamide?
The InChIKey is XKEWKHLEOSHWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O2/c1-13(24)22-11-17(25)23-10-4-5-14(12-23)8-9-15-6-2-3-7-16(15)18(19,20)21/h2-3,6-7,14H,4-5,8-12H2,1H3,(H,22,24).
What are the key properties of N-[2-oxo-2-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]acetamide?
N-[2-oxo-2-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]acetamide has a molecular weight of 356.39 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]acetamide is sourced from PubChem (CID 45228216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).