(7-bromo-1-ethylindol-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone

C17H18BrF3N2O — CID 171663023

IUPAC(7-bromo-1-ethylindol-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCCn1c(C(=O)N2CCC(C(F)(F)F)CC2)cc2cccc(Br)c21
InChIInChI=1S/C17H18BrF3N2O/c1-2-23-14(10-11-4-3-5-13(18)15(11)23)16(24)22-8-6-12(7-9-22)17(19,20)21/h3-5,10,12H,2,6-9H2,1H3
InChIKeyHPOUJWDSAMFHFX-UHFFFAOYSA-N
MW403.24 g/mol
LogP4.84
Rot. Bonds2

About (7-bromo-1-ethylindol-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone

(7-bromo-1-ethylindol-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 171663023) has the molecular formula C17H18BrF3N2O and a molecular weight of 403.24 g/mol. Its IUPAC name is (7-bromo-1-ethylindol-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(7-bromo-1-ethylindol-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID171663023
Molecular FormulaC17H18BrF3N2O
Molecular Weight403.24 g/mol
Exact Mass402.06
IUPAC Name(7-bromo-1-ethylindol-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCCn1c(C(=O)N2CCC(C(F)(F)F)CC2)cc2cccc(Br)c21
InChIInChI=1S/C17H18BrF3N2O/c1-2-23-14(10-11-4-3-5-13(18)15(11)23)16(24)22-8-6-12(7-9-22)17(19,20)21/h3-5,10,12H,2,6-9H2,1H3
InChIKeyHPOUJWDSAMFHFX-UHFFFAOYSA-N
XLogP4.84
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.24
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(7-bromo-1-ethylindol-2-yl)-morpholin-4-ylmethanone
CID 171663017
tert-butyl 4-(7-bromo-1-ethylindole-2-carbonyl)-2-methylpiperazine-1-carboxylate
CID 171663027
tert-butyl (3R)-4-(7-bromo-1-ethylindole-2-carbonyl)-3-methylpiperazine-1-carboxylate
CID 171663032
7-bromo-N,N,1-triethylindole-2-carboxamide
CID 171663013
(1-benzylindol-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 71893736
(4,5-dibromothiophen-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 79036661
(2-aminophenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
CID 119944243
(5-amino-1-ethylindol-2-yl)-pyrrolidin-1-ylmethanone
CID 42669611
(6-bromo-3-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 66462579
3-[(3R)-1-(1-ethylindole-2-carbonyl)piperidin-3-yl]propanoic acid
CID 129414879
(1-ethylindol-2-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95607135
(5-bromo-2-methyl-3-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 168678080

Frequently Asked Questions

What is the IUPAC name of (7-bromo-1-ethylindol-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (7-bromo-1-ethylindol-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone (CID 171663023) is (7-bromo-1-ethylindol-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (7-bromo-1-ethylindol-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (7-bromo-1-ethylindol-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone is CCn1c(C(=O)N2CCC(C(F)(F)F)CC2)cc2cccc(Br)c21.
What is the InChIKey of (7-bromo-1-ethylindol-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is HPOUJWDSAMFHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrF3N2O/c1-2-23-14(10-11-4-3-5-13(18)15(11)23)16(24)22-8-6-12(7-9-22)17(19,20)21/h3-5,10,12H,2,6-9H2,1H3.
What are the key properties of (7-bromo-1-ethylindol-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
(7-bromo-1-ethylindol-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 403.24 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-1-ethylindol-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 171663023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).