(5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-2-ylmethanone

C15H19BrN2O — CID 119312734

IUPAC(5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-2-ylmethanone
SMILESO=C(C1CCCCN1)N1CCc2c(Br)cccc2C1
InChIInChI=1S/C15H19BrN2O/c16-13-5-3-4-11-10-18(9-7-12(11)13)15(19)14-6-1-2-8-17-14/h3-5,14,17H,1-2,6-10H2
InChIKeyGSFJIKHOEOMDGL-UHFFFAOYSA-N
MW323.23 g/mol
LogP2.48
Rot. Bonds1

About (5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-2-ylmethanone

(5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-2-ylmethanone (PubChem CID 119312734) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is (5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-2-ylmethanone.

Molecular Properties

Compound Name(5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-2-ylmethanone
PubChem CID119312734
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name(5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-2-ylmethanone
SMILESO=C(C1CCCCN1)N1CCc2c(Br)cccc2C1
InChIInChI=1S/C15H19BrN2O/c16-13-5-3-4-11-10-18(9-7-12(11)13)15(19)14-6-1-2-8-17-14/h3-5,14,17H,1-2,6-10H2
InChIKeyGSFJIKHOEOMDGL-UHFFFAOYSA-N
XLogP2.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-pyrrolidin-2-ylmethanone
CID 119327935
2-(piperidine-2-carbonyl)-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 104559033
2-[(2R)-pyrrolidine-2-carbonyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 104901455
(5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120629643
(5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-3-ylmethanone
CID 119312758
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 119327919
(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 96999767
5-bromo-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 128960292
(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2S)-piperidin-2-yl]methanone
CID 93375324
7,8-dihydro-5H-1,6-naphthyridin-6-yl(pyrrolidin-2-yl)methanone
CID 60862419
(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyrrolidin-2-ylmethanone
CID 110481278
1,3-dihydroisoindol-2-yl(pyrrolidin-2-yl)methanone;hydrochloride
CID 119320268

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-2-ylmethanone?
The IUPAC name of (5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-2-ylmethanone (CID 119312734) is (5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-2-ylmethanone.
What is the SMILES notation for (5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-2-ylmethanone?
The canonical SMILES for (5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-2-ylmethanone is O=C(C1CCCCN1)N1CCc2c(Br)cccc2C1.
What is the InChIKey of (5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-2-ylmethanone?
The InChIKey is GSFJIKHOEOMDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c16-13-5-3-4-11-10-18(9-7-12(11)13)15(19)14-6-1-2-8-17-14/h3-5,14,17H,1-2,6-10H2.
What are the key properties of (5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-2-ylmethanone?
(5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-2-ylmethanone has a molecular weight of 323.23 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-2-ylmethanone is sourced from PubChem (CID 119312734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).