(6-bromo-1H-indol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

C15H14BrF3N2O — CID 172654886

IUPAC(6-bromo-1H-indol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1c[nH]c2cc(Br)ccc12)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H14BrF3N2O/c16-10-3-4-11-12(7-20-13(11)6-10)14(22)21-5-1-2-9(8-21)15(17,18)19/h3-4,6-7,9,20H,1-2,5,8H2
InChIKeyUBSADJUPSFFQKM-UHFFFAOYSA-N
MW375.19 g/mol
LogP4.34
Rot. Bonds1

About (6-bromo-1H-indol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

(6-bromo-1H-indol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 172654886) has the molecular formula C15H14BrF3N2O and a molecular weight of 375.19 g/mol. Its IUPAC name is (6-bromo-1H-indol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-bromo-1H-indol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID172654886
Molecular FormulaC15H14BrF3N2O
Molecular Weight375.19 g/mol
Exact Mass374.02
IUPAC Name(6-bromo-1H-indol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1c[nH]c2cc(Br)ccc12)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H14BrF3N2O/c16-10-3-4-11-12(7-20-13(11)6-10)14(22)21-5-1-2-9(8-21)15(17,18)19/h3-4,6-7,9,20H,1-2,5,8H2
InChIKeyUBSADJUPSFFQKM-UHFFFAOYSA-N
XLogP4.34
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.19
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-bromo-2-iodophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 103602631
(4-bromo-2-methoxyphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 78987895
(6-bromo-1H-indol-3-yl)-(2-methylmorpholin-4-yl)methanone
CID 172654877
(6-bromo-1H-indol-3-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone
CID 178095009
naphthalen-1-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 51556451
(5-chloro-2-hydroxyphenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 31640799
(2,4-dichlorophenyl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 7064237
(3S)-1-(6-fluoro-1H-indole-3-carbonyl)-N-methylpiperidine-3-carboxamide
CID 97260094
(2-amino-4-fluorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 63110249
(5-amino-2-fluorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 61101822
(6-fluoro-1H-indol-3-yl)-piperidin-1-ylmethanone
CID 113206150
azepan-1-yl-(6-fluoro-1H-indol-3-yl)methanone
CID 113206230

Frequently Asked Questions

What is the IUPAC name of (6-bromo-1H-indol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (6-bromo-1H-indol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (CID 172654886) is (6-bromo-1H-indol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (6-bromo-1H-indol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (6-bromo-1H-indol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is O=C(c1c[nH]c2cc(Br)ccc12)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of (6-bromo-1H-indol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is UBSADJUPSFFQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF3N2O/c16-10-3-4-11-12(7-20-13(11)6-10)14(22)21-5-1-2-9(8-21)15(17,18)19/h3-4,6-7,9,20H,1-2,5,8H2.
What are the key properties of (6-bromo-1H-indol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
(6-bromo-1H-indol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 375.19 g/mol, XLogP of 4.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-1H-indol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 172654886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).