(5-chloro-1H-indol-2-yl)-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone

C21H18ClF3N2O2 — CID 122421163

IUPAC(5-chloro-1H-indol-2-yl)-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone
SMILESO=C(c1cc2cc(Cl)ccc2[nH]1)N1CCC(Oc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C21H18ClF3N2O2/c22-15-3-6-18-13(11-15)12-19(26-18)20(28)27-9-7-17(8-10-27)29-16-4-1-14(2-5-16)21(23,24)25/h1-6,11-12,17,26H,7-10H2
InChIKeyBINGOTNOYVSMIU-UHFFFAOYSA-N
MW422.83 g/mol
LogP5.52
Rot. Bonds3

About (5-chloro-1H-indol-2-yl)-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone

(5-chloro-1H-indol-2-yl)-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone (PubChem CID 122421163) has the molecular formula C21H18ClF3N2O2 and a molecular weight of 422.83 g/mol. Its IUPAC name is (5-chloro-1H-indol-2-yl)-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-1H-indol-2-yl)-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone
PubChem CID122421163
Molecular FormulaC21H18ClF3N2O2
Molecular Weight422.83 g/mol
Exact Mass422.10
IUPAC Name(5-chloro-1H-indol-2-yl)-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone
SMILESO=C(c1cc2cc(Cl)ccc2[nH]1)N1CCC(Oc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C21H18ClF3N2O2/c22-15-3-6-18-13(11-15)12-19(26-18)20(28)27-9-7-17(8-10-27)29-16-4-1-14(2-5-16)21(23,24)25/h1-6,11-12,17,26H,7-10H2
InChIKeyBINGOTNOYVSMIU-UHFFFAOYSA-N
XLogP5.52
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.83
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(4-chlorophenoxy)piperidin-1-yl]-(5,6-dimethoxy-1H-indol-2-yl)methanone
CID 67170444
(5-chloro-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 3661150
[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 33367407
[4-(4-fluorophenoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 110396962
(5-chloro-1H-indol-2-yl)-[(4S,5S)-4-(2-fluorophenoxy)-5-hydroxyazepan-1-yl]methanone
CID 110164518
4-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxy-1H-indole-2-carbonyl]piperazine-1-carboxylic acid
CID 141212152
(5-chloro-1H-indol-2-yl)-[(4S,5S)-4-hydroxy-5-(3-methoxyphenoxy)azepan-1-yl]methanone
CID 110164573
(4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone
CID 69284738
[4-[2-(4-bromophenyl)hydrazinyl]piperidin-1-yl]-(5-chloro-1H-indol-2-yl)methanone
CID 122435985
(5-chloro-1H-indol-2-yl)-[(3S)-3-(2-hydroxy-2-methylbut-3-ynoxy)pyrrolidin-1-yl]methanone
CID 89027816
[4-(4-chlorophenoxy)piperidin-1-yl]-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methanone
CID 141104891
1-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indole-2-carbonyl]piperidine-4-carboxamide
CID 69283945

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1H-indol-2-yl)-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone?
The IUPAC name of (5-chloro-1H-indol-2-yl)-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone (CID 122421163) is (5-chloro-1H-indol-2-yl)-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone.
What is the SMILES notation for (5-chloro-1H-indol-2-yl)-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone?
The canonical SMILES for (5-chloro-1H-indol-2-yl)-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone is O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCC(Oc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of (5-chloro-1H-indol-2-yl)-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone?
The InChIKey is BINGOTNOYVSMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClF3N2O2/c22-15-3-6-18-13(11-15)12-19(26-18)20(28)27-9-7-17(8-10-27)29-16-4-1-14(2-5-16)21(23,24)25/h1-6,11-12,17,26H,7-10H2.
What are the key properties of (5-chloro-1H-indol-2-yl)-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone?
(5-chloro-1H-indol-2-yl)-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone has a molecular weight of 422.83 g/mol, XLogP of 5.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1H-indol-2-yl)-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone is sourced from PubChem (CID 122421163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).