N-[3,5-bis(trifluoromethyl)phenyl]-2-[1-(2-hydroxypropanoyl)piperidin-4-yl]acetamide

C18H20F6N2O3 — CID 130216413

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-2-[1-(2-hydroxypropanoyl)piperidin-4-yl]acetamide
SMILESCC(O)C(=O)N1CCC(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H20F6N2O3/c1-10(27)16(29)26-4-2-11(3-5-26)6-15(28)25-14-8-12(17(19,20)21)7-13(9-14)18(22,23)24/h7-11,27H,2-6H2,1H3,(H,25,28)
InChIKeyFKHYGBJOEODVTA-UHFFFAOYSA-N
MW426.36 g/mol
LogP3.67
Rot. Bonds4

About N-[3,5-bis(trifluoromethyl)phenyl]-2-[1-(2-hydroxypropanoyl)piperidin-4-yl]acetamide

N-[3,5-bis(trifluoromethyl)phenyl]-2-[1-(2-hydroxypropanoyl)piperidin-4-yl]acetamide (PubChem CID 130216413) has the molecular formula C18H20F6N2O3 and a molecular weight of 426.36 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-2-[1-(2-hydroxypropanoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-2-[1-(2-hydroxypropanoyl)piperidin-4-yl]acetamide
PubChem CID130216413
Molecular FormulaC18H20F6N2O3
Molecular Weight426.36 g/mol
Exact Mass426.14
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-2-[1-(2-hydroxypropanoyl)piperidin-4-yl]acetamide
SMILESCC(O)C(=O)N1CCC(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H20F6N2O3/c1-10(27)16(29)26-4-2-11(3-5-26)6-15(28)25-14-8-12(17(19,20)21)7-13(9-14)18(22,23)24/h7-11,27H,2-6H2,1H3,(H,25,28)
InChIKeyFKHYGBJOEODVTA-UHFFFAOYSA-N
XLogP3.67
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.36
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-(1-aminocyclohexyl)acetyl]piperidin-4-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
CID 51038641
N-[3,5-bis(trifluoromethyl)phenyl]-2-[1-[(2S,4R)-4-hydroxy-1-[(S)-hydroxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidine-2-carbonyl]piperidin-4-yl]acetamide
CID 130216273
N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[hydroxy-[(2S)-2-hydroxy-3,3-dimethylbutyl]amino]cyclohexyl]acetamide
CID 162600889
N-[3,5-bis(trifluoromethyl)phenyl]-2-[1-(1-methylpiperidine-2-carbonyl)azetidin-3-yl]acetamide
CID 88868071
2-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 118712050
2-(1-butylpiperidin-4-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 145278481
N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119646337
4-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 78870930
N-(4-tert-butylphenyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 110754677
(3S)-N-[3,5-bis(trifluoromethyl)phenyl]-3-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 97244489
1-[4-[3-[3,5-bis(trifluoromethyl)phenyl]-2-oxopropyl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one
CID 152847646
tert-butyl N-[4-[4-[2-[3-(fluoromethyl)-5-(trifluoromethyl)anilino]-2-oxoethyl]piperidine-1-carbonyl]oxan-4-yl]carbamate
CID 67567747

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-[1-(2-hydroxypropanoyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-[1-(2-hydroxypropanoyl)piperidin-4-yl]acetamide (CID 130216413) is N-[3,5-bis(trifluoromethyl)phenyl]-2-[1-(2-hydroxypropanoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-2-[1-(2-hydroxypropanoyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-2-[1-(2-hydroxypropanoyl)piperidin-4-yl]acetamide is CC(O)C(=O)N1CCC(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-2-[1-(2-hydroxypropanoyl)piperidin-4-yl]acetamide?
The InChIKey is FKHYGBJOEODVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F6N2O3/c1-10(27)16(29)26-4-2-11(3-5-26)6-15(28)25-14-8-12(17(19,20)21)7-13(9-14)18(22,23)24/h7-11,27H,2-6H2,1H3,(H,25,28).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-2-[1-(2-hydroxypropanoyl)piperidin-4-yl]acetamide?
N-[3,5-bis(trifluoromethyl)phenyl]-2-[1-(2-hydroxypropanoyl)piperidin-4-yl]acetamide has a molecular weight of 426.36 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-2-[1-(2-hydroxypropanoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 130216413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).