(5-bromo-1-methylindol-3-yl)-(3-methylpiperidin-1-yl)methanone

C16H19BrN2O — CID 172654563

IUPAC(5-bromo-1-methylindol-3-yl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cn(C)c3ccc(Br)cc23)C1
InChIInChI=1S/C16H19BrN2O/c1-11-4-3-7-19(9-11)16(20)14-10-18(2)15-6-5-12(17)8-13(14)15/h5-6,8,10-11H,3-4,7,9H2,1-2H3
InChIKeyFXJYJLWJORZQNV-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.81
Rot. Bonds1

About (5-bromo-1-methylindol-3-yl)-(3-methylpiperidin-1-yl)methanone

(5-bromo-1-methylindol-3-yl)-(3-methylpiperidin-1-yl)methanone (PubChem CID 172654563) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is (5-bromo-1-methylindol-3-yl)-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromo-1-methylindol-3-yl)-(3-methylpiperidin-1-yl)methanone
PubChem CID172654563
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name(5-bromo-1-methylindol-3-yl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cn(C)c3ccc(Br)cc23)C1
InChIInChI=1S/C16H19BrN2O/c1-11-4-3-7-19(9-11)16(20)14-10-18(2)15-6-5-12(17)8-13(14)15/h5-6,8,10-11H,3-4,7,9H2,1-2H3
InChIKeyFXJYJLWJORZQNV-UHFFFAOYSA-N
XLogP3.81
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
CID 172654558
(5-bromo-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 17217216
(6-bromo-1-methylindol-3-yl)-(2-methylmorpholin-4-yl)methanone
CID 172654878
(6-bromo-2-phenylquinolin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 997940
(2-bromophenyl)-(3-methylpiperidin-1-yl)methanone
CID 2842644
(2-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone
CID 43176525
azetidin-1-yl-(1-methylindol-3-yl)methanone
CID 17458441
(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
CID 4207786
(5-bromo-2-methylphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 65309140
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(1-methylindol-3-yl)methanone
CID 9225632
(5-bromo-2-methoxyphenyl)-(4-methylazepan-1-yl)methanone
CID 113241159
(6-bromo-1-ethylindol-3-yl)-(3-methylazetidin-1-yl)methanone
CID 172674672

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1-methylindol-3-yl)-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of (5-bromo-1-methylindol-3-yl)-(3-methylpiperidin-1-yl)methanone (CID 172654563) is (5-bromo-1-methylindol-3-yl)-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-bromo-1-methylindol-3-yl)-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (5-bromo-1-methylindol-3-yl)-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2cn(C)c3ccc(Br)cc23)C1.
What is the InChIKey of (5-bromo-1-methylindol-3-yl)-(3-methylpiperidin-1-yl)methanone?
The InChIKey is FXJYJLWJORZQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-11-4-3-7-19(9-11)16(20)14-10-18(2)15-6-5-12(17)8-13(14)15/h5-6,8,10-11H,3-4,7,9H2,1-2H3.
What are the key properties of (5-bromo-1-methylindol-3-yl)-(3-methylpiperidin-1-yl)methanone?
(5-bromo-1-methylindol-3-yl)-(3-methylpiperidin-1-yl)methanone has a molecular weight of 335.25 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1-methylindol-3-yl)-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 172654563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).