[4-(oxan-4-yloxy)piperidin-1-yl]-[6-(trifluoromethoxy)-1H-indol-2-yl]methanone

C20H23F3N2O4 — CID 99809959

IUPAC[4-(oxan-4-yloxy)piperidin-1-yl]-[6-(trifluoromethoxy)-1H-indol-2-yl]methanone
SMILESO=C(c1cc2ccc(OC(F)(F)F)cc2[nH]1)N1CCC(OC2CCOCC2)CC1
InChIInChI=1S/C20H23F3N2O4/c21-20(22,23)29-16-2-1-13-11-18(24-17(13)12-16)19(26)25-7-3-14(4-8-25)28-15-5-9-27-10-6-15/h1-2,11-12,14-15,24H,3-10H2
InChIKeyXCILCIZUFBCSNM-UHFFFAOYSA-N
MW412.41 g/mol
LogP3.87
Rot. Bonds4

About [4-(oxan-4-yloxy)piperidin-1-yl]-[6-(trifluoromethoxy)-1H-indol-2-yl]methanone

[4-(oxan-4-yloxy)piperidin-1-yl]-[6-(trifluoromethoxy)-1H-indol-2-yl]methanone (PubChem CID 99809959) has the molecular formula C20H23F3N2O4 and a molecular weight of 412.41 g/mol. Its IUPAC name is [4-(oxan-4-yloxy)piperidin-1-yl]-[6-(trifluoromethoxy)-1H-indol-2-yl]methanone.

Molecular Properties

Compound Name[4-(oxan-4-yloxy)piperidin-1-yl]-[6-(trifluoromethoxy)-1H-indol-2-yl]methanone
PubChem CID99809959
Molecular FormulaC20H23F3N2O4
Molecular Weight412.41 g/mol
Exact Mass412.16
IUPAC Name[4-(oxan-4-yloxy)piperidin-1-yl]-[6-(trifluoromethoxy)-1H-indol-2-yl]methanone
SMILESO=C(c1cc2ccc(OC(F)(F)F)cc2[nH]1)N1CCC(OC2CCOCC2)CC1
InChIInChI=1S/C20H23F3N2O4/c21-20(22,23)29-16-2-1-13-11-18(24-17(13)12-16)19(26)25-7-3-14(4-8-25)28-15-5-9-27-10-6-15/h1-2,11-12,14-15,24H,3-10H2
InChIKeyXCILCIZUFBCSNM-UHFFFAOYSA-N
XLogP3.87
TPSA63.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(oxan-4-yloxy)piperidin-1-yl]-[6-(trifluoromethoxy)-1H-indol-2-yl]methanone with MolForge

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Related Compounds

4-[4-[6-(trifluoromethoxy)-1H-indole-2-carbonyl]piperazin-1-yl]benzamide
CID 86969214
[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-[6-(trifluoromethoxy)-1H-indol-2-yl]methanone
CID 86821428
N-[(3R)-1-[6-(trifluoromethoxy)-1H-indole-2-carbonyl]piperidin-3-yl]prop-2-enamide
CID 166424560
3-fluoro-1-[6-(trifluoromethoxy)-1H-indole-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 119258701
(6-ethoxy-1H-indol-2-yl)-morpholin-4-ylmethanone
CID 47265248
[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-[6-(trifluoromethoxy)-1H-indol-2-yl]methanone
CID 86958970
[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[6-(trifluoromethoxy)-1H-indol-2-yl]methanone
CID 128988322
2H-benzotriazol-5-yl-[(1S,2S,6S,8S)-10-[6-(trifluoromethoxy)-1H-indole-2-carbonyl]-7,12,13-trioxa-4,10-diazatricyclo[6.3.1.12,6]tridecan-4-yl]methanone
CID 163598708
(6-hydroxy-1H-indol-2-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 70013039
(6-methoxy-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 4909282
6-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 67168125
1H-indol-2-yl(morpholin-4-yl)methanone
CID 825286

Frequently Asked Questions

What is the IUPAC name of [4-(oxan-4-yloxy)piperidin-1-yl]-[6-(trifluoromethoxy)-1H-indol-2-yl]methanone?
The IUPAC name of [4-(oxan-4-yloxy)piperidin-1-yl]-[6-(trifluoromethoxy)-1H-indol-2-yl]methanone (CID 99809959) is [4-(oxan-4-yloxy)piperidin-1-yl]-[6-(trifluoromethoxy)-1H-indol-2-yl]methanone.
What is the SMILES notation for [4-(oxan-4-yloxy)piperidin-1-yl]-[6-(trifluoromethoxy)-1H-indol-2-yl]methanone?
The canonical SMILES for [4-(oxan-4-yloxy)piperidin-1-yl]-[6-(trifluoromethoxy)-1H-indol-2-yl]methanone is O=C(c1cc2ccc(OC(F)(F)F)cc2[nH]1)N1CCC(OC2CCOCC2)CC1.
What is the InChIKey of [4-(oxan-4-yloxy)piperidin-1-yl]-[6-(trifluoromethoxy)-1H-indol-2-yl]methanone?
The InChIKey is XCILCIZUFBCSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O4/c21-20(22,23)29-16-2-1-13-11-18(24-17(13)12-16)19(26)25-7-3-14(4-8-25)28-15-5-9-27-10-6-15/h1-2,11-12,14-15,24H,3-10H2.
What are the key properties of [4-(oxan-4-yloxy)piperidin-1-yl]-[6-(trifluoromethoxy)-1H-indol-2-yl]methanone?
[4-(oxan-4-yloxy)piperidin-1-yl]-[6-(trifluoromethoxy)-1H-indol-2-yl]methanone has a molecular weight of 412.41 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(oxan-4-yloxy)piperidin-1-yl]-[6-(trifluoromethoxy)-1H-indol-2-yl]methanone is sourced from PubChem (CID 99809959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).