3-(1H-indol-6-yl)-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]piperidine-1-carbaldehyde

C20H18F3N3O2 — CID 171774232

IUPAC3-(1H-indol-6-yl)-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]piperidine-1-carbaldehyde
SMILESO=CN1CCC(Oc2cncc(C(F)(F)F)c2)C(c2ccc3cc[nH]c3c2)C1
InChIInChI=1S/C20H18F3N3O2/c21-20(22,23)15-8-16(10-24-9-15)28-19-4-6-26(12-27)11-17(19)14-2-1-13-3-5-25-18(13)7-14/h1-3,5,7-10,12,17,19,25H,4,6,11H2
InChIKeyRPRJKMJOMZCWJB-UHFFFAOYSA-N
MW389.38 g/mol
LogP3.97
Rot. Bonds4

About 3-(1H-indol-6-yl)-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]piperidine-1-carbaldehyde

3-(1H-indol-6-yl)-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]piperidine-1-carbaldehyde (PubChem CID 171774232) has the molecular formula C20H18F3N3O2 and a molecular weight of 389.38 g/mol. Its IUPAC name is 3-(1H-indol-6-yl)-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]piperidine-1-carbaldehyde.

Molecular Properties

Compound Name3-(1H-indol-6-yl)-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]piperidine-1-carbaldehyde
PubChem CID171774232
Molecular FormulaC20H18F3N3O2
Molecular Weight389.38 g/mol
Exact Mass389.14
IUPAC Name3-(1H-indol-6-yl)-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]piperidine-1-carbaldehyde
SMILESO=CN1CCC(Oc2cncc(C(F)(F)F)c2)C(c2ccc3cc[nH]c3c2)C1
InChIInChI=1S/C20H18F3N3O2/c21-20(22,23)15-8-16(10-24-9-15)28-19-4-6-26(12-27)11-17(19)14-2-1-13-3-5-25-18(13)7-14/h1-3,5,7-10,12,17,19,25H,4,6,11H2
InChIKeyRPRJKMJOMZCWJB-UHFFFAOYSA-N
XLogP3.97
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carbaldehyde
CID 175289207
4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbaldehyde
CID 175551989
2-[1-(1H-indole-6-carbonyl)piperidin-4-yl]oxy-5-(trifluoromethyl)pyridine-3-carbonitrile
CID 166105197
6-[(1S,8aR)-1,2,3,5,6,8a-hexahydroindolizin-1-yl]-1H-indole
CID 91320547
(2S,5S,7S)-2-[[5-(1H-indol-6-yl)-3-pyridinyl]oxy]-1-azatricyclo[3.3.1.13,7]decane
CID 143702557
ethane;1H-indol-6-yl-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]methanone
CID 166104335
1H-indol-6-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 91626672
[1-[5-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl] carbamate
CID 146303389
N-(1H-indol-6-yl)-2-[4-(trifluoromethyl)phenyl]morpholine-4-carboxamide
CID 126781841
1H-indol-6-yl-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone
CID 122267583
ethane;3-methoxy-5-(trifluoromethyl)pyridine
CID 176999703
3,5-difluoro-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]benzaldehyde
CID 86728329

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-6-yl)-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]piperidine-1-carbaldehyde?
The IUPAC name of 3-(1H-indol-6-yl)-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]piperidine-1-carbaldehyde (CID 171774232) is 3-(1H-indol-6-yl)-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]piperidine-1-carbaldehyde.
What is the SMILES notation for 3-(1H-indol-6-yl)-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]piperidine-1-carbaldehyde?
The canonical SMILES for 3-(1H-indol-6-yl)-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]piperidine-1-carbaldehyde is O=CN1CCC(Oc2cncc(C(F)(F)F)c2)C(c2ccc3cc[nH]c3c2)C1.
What is the InChIKey of 3-(1H-indol-6-yl)-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]piperidine-1-carbaldehyde?
The InChIKey is RPRJKMJOMZCWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O2/c21-20(22,23)15-8-16(10-24-9-15)28-19-4-6-26(12-27)11-17(19)14-2-1-13-3-5-25-18(13)7-14/h1-3,5,7-10,12,17,19,25H,4,6,11H2.
What are the key properties of 3-(1H-indol-6-yl)-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]piperidine-1-carbaldehyde?
3-(1H-indol-6-yl)-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]piperidine-1-carbaldehyde has a molecular weight of 389.38 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-6-yl)-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]piperidine-1-carbaldehyde is sourced from PubChem (CID 171774232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).