(2R)-2-(1-hydroxycyclohexyl)-1-(4-morpholin-4-ylpiperidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanone

C24H33F3N2O4 — CID 129386366

IUPAC(2R)-2-(1-hydroxycyclohexyl)-1-(4-morpholin-4-ylpiperidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanone
SMILESO=C([C@H](c1cccc(OC(F)(F)F)c1)C1(O)CCCCC1)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C24H33F3N2O4/c25-24(26,27)33-20-6-4-5-18(17-20)21(23(31)9-2-1-3-10-23)22(30)29-11-7-19(8-12-29)28-13-15-32-16-14-28/h4-6,17,19,21,31H,1-3,7-16H2/t21-/m0/s1
InChIKeyWCWSHWCNHBWTBG-NRFANRHFSA-N
MW470.53 g/mol
LogP3.69
Rot. Bonds5

About (2R)-2-(1-hydroxycyclohexyl)-1-(4-morpholin-4-ylpiperidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanone

(2R)-2-(1-hydroxycyclohexyl)-1-(4-morpholin-4-ylpiperidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanone (PubChem CID 129386366) has the molecular formula C24H33F3N2O4 and a molecular weight of 470.53 g/mol. Its IUPAC name is (2R)-2-(1-hydroxycyclohexyl)-1-(4-morpholin-4-ylpiperidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanone.

Molecular Properties

Compound Name(2R)-2-(1-hydroxycyclohexyl)-1-(4-morpholin-4-ylpiperidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanone
PubChem CID129386366
Molecular FormulaC24H33F3N2O4
Molecular Weight470.53 g/mol
Exact Mass470.24
IUPAC Name(2R)-2-(1-hydroxycyclohexyl)-1-(4-morpholin-4-ylpiperidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanone
SMILESO=C([C@H](c1cccc(OC(F)(F)F)c1)C1(O)CCCCC1)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C24H33F3N2O4/c25-24(26,27)33-20-6-4-5-18(17-20)21(23(31)9-2-1-3-10-23)22(30)29-11-7-19(8-12-29)28-13-15-32-16-14-28/h4-6,17,19,21,31H,1-3,7-16H2/t21-/m0/s1
InChIKeyWCWSHWCNHBWTBG-NRFANRHFSA-N
XLogP3.69
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-(1-hydroxycyclohexyl)-1-(4-morpholin-4-ylpiperidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanone with MolForge

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Related Compounds

4-[(2S)-2-(1-hydroxycyclohexyl)-2-[3-(trifluoromethoxy)phenyl]acetyl]piperazine-1-carboxylic acid
CID 174506052
[1-[2-(1-hydroxycyclohexyl)-2-[3-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl] N-tert-butylcarbamate
CID 91309542
2-[(3R)-1-hydroxy-3-methylcyclohexyl]-1-piperazin-1-yl-2-[3-(trifluoromethoxy)phenyl]ethanone
CID 141128694
2-(3-bromophenyl)-2-(1-hydroxycyclohexyl)-1-morpholin-4-ylethanone
CID 68854082
1-(2,2-dimethylpiperazin-1-yl)-2-(1-hydroxycyclohexyl)-2-[3-(trifluoromethoxy)phenyl]ethanone
CID 69128368
[1-[2-(1-hydroxycyclohexyl)-2-(3-phenoxyphenyl)acetyl]piperidin-4-yl] N-tert-butylcarbamate
CID 91114862
2-(1-hydroxycyclohexyl)-2-[3-(trifluoromethoxy)phenyl]acetaldehyde
CID 143482723
2-chloro-1-piperidin-1-yl-2-[3-(trifluoromethoxy)phenyl]ethanone
CID 107105193
tert-butyl-[1-[2-(1-hydroxycyclobutyl)-2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]carbamic acid
CID 69095599
2-chloro-1-pyrrolidin-1-yl-2-[3-(trifluoromethoxy)phenyl]ethanone
CID 107105192
(3R)-3-methyl-1-[(1R)-3-(4-piperidin-1-ylpiperidin-1-yl)-1-[3-(trifluoromethoxy)phenyl]propyl]cyclopentan-1-ol
CID 143037697
1-[2-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1-[3-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol
CID 59701268

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-hydroxycyclohexyl)-1-(4-morpholin-4-ylpiperidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanone?
The IUPAC name of (2R)-2-(1-hydroxycyclohexyl)-1-(4-morpholin-4-ylpiperidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanone (CID 129386366) is (2R)-2-(1-hydroxycyclohexyl)-1-(4-morpholin-4-ylpiperidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanone.
What is the SMILES notation for (2R)-2-(1-hydroxycyclohexyl)-1-(4-morpholin-4-ylpiperidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanone?
The canonical SMILES for (2R)-2-(1-hydroxycyclohexyl)-1-(4-morpholin-4-ylpiperidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanone is O=C([C@H](c1cccc(OC(F)(F)F)c1)C1(O)CCCCC1)N1CCC(N2CCOCC2)CC1.
What is the InChIKey of (2R)-2-(1-hydroxycyclohexyl)-1-(4-morpholin-4-ylpiperidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanone?
The InChIKey is WCWSHWCNHBWTBG-NRFANRHFSA-N. The full InChI is InChI=1S/C24H33F3N2O4/c25-24(26,27)33-20-6-4-5-18(17-20)21(23(31)9-2-1-3-10-23)22(30)29-11-7-19(8-12-29)28-13-15-32-16-14-28/h4-6,17,19,21,31H,1-3,7-16H2/t21-/m0/s1.
What are the key properties of (2R)-2-(1-hydroxycyclohexyl)-1-(4-morpholin-4-ylpiperidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanone?
(2R)-2-(1-hydroxycyclohexyl)-1-(4-morpholin-4-ylpiperidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanone has a molecular weight of 470.53 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-hydroxycyclohexyl)-1-(4-morpholin-4-ylpiperidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanone is sourced from PubChem (CID 129386366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).