[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone

C25H27F3N2O3 — CID 46090005

IUPAC[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
SMILESCCOCCn1cc(C2CCN(C(=O)c3ccccc3OC(F)(F)F)CC2)c2ccccc21
InChIInChI=1S/C25H27F3N2O3/c1-2-32-16-15-30-17-21(19-7-3-5-9-22(19)30)18-11-13-29(14-12-18)24(31)20-8-4-6-10-23(20)33-25(26,27)28/h3-10,17-18H,2,11-16H2,1H3
InChIKeyHAJZBHLNYUJXMP-UHFFFAOYSA-N
MW460.50 g/mol
LogP5.60
Rot. Bonds7

About [4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone

[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone (PubChem CID 46090005) has the molecular formula C25H27F3N2O3 and a molecular weight of 460.50 g/mol. Its IUPAC name is [4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
PubChem CID46090005
Molecular FormulaC25H27F3N2O3
Molecular Weight460.50 g/mol
Exact Mass460.20
IUPAC Name[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
SMILESCCOCCn1cc(C2CCN(C(=O)c3ccccc3OC(F)(F)F)CC2)c2ccccc21
InChIInChI=1S/C25H27F3N2O3/c1-2-32-16-15-30-17-21(19-7-3-5-9-22(19)30)18-11-13-29(14-12-18)24(31)20-8-4-6-10-23(20)33-25(26,27)28/h3-10,17-18H,2,11-16H2,1H3
InChIKeyHAJZBHLNYUJXMP-UHFFFAOYSA-N
XLogP5.60
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.50
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Jwh 250
CID 44397540
2-(4-Methoxyphenyl)-1-(1-pentylindol-3-YL)ethanone
CID 44397641
SR-18
CID 53394099
Glucosylceramide synthase-IN-1
CID 155595464
8-Fluoro-3-{[3-(5-fluoro-1H-indol-3-yl)propyl](propyl)amino}-N-methylchromane-5-carboxamide
CID 25138907
1-[2-(4-Methoxyphenoxy)ethyl]-1H-indole-3-carbaldehyde
CID 589080
1-[1-(2-o-Tolyloxy-ethyl)-1H-indol-3-yl]-ethanone
CID 951675
RCS-2-butyl
CID 57507910
(2-Methoxyphenyl)(1-pentyl-1H-indole-3-yl)methanone
CID 57507911
Scio-323
CID 10288822
2-phenoxybenzoyltryptophan derivative, R3C3
CID 44176152
8-(1H-indol-5-yl)-2-morpholin-4-ylchromen-4-one
CID 11501108

Frequently Asked Questions

What is the IUPAC name of [4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of [4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone (CID 46090005) is [4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for [4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for [4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone is CCOCCn1cc(C2CCN(C(=O)c3ccccc3OC(F)(F)F)CC2)c2ccccc21.
What is the InChIKey of [4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone?
The InChIKey is HAJZBHLNYUJXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N2O3/c1-2-32-16-15-30-17-21(19-7-3-5-9-22(19)30)18-11-13-29(14-12-18)24(31)20-8-4-6-10-23(20)33-25(26,27)28/h3-10,17-18H,2,11-16H2,1H3.
What are the key properties of [4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone?
[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone has a molecular weight of 460.50 g/mol, XLogP of 5.60, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 46090005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).