6-Bromo-5-(1-isopropyl-piperidin-4-yloxy)-1H-indole-2-carboxylic acid ethyl ester

HCID 67017929

Notes Reactions

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Basic information

CAS: 937718-65-5
Standard SMILES: CCOC(=O)c1cc2cc(OC3CCN(C(C)C)CC3)c(Br)cc2[nH]1
InChIKey: UFOJBVBJBPGIBM-UHFFFAOYSA-N
Molecular formula: C19H25BrN2O3
Average molar mass: 409.3 g/mol
Monoisotopic mass: 408.10485476

Names & identifiers

Preferred name: 6-Bromo-5-(1-isopropyl-piperidin-4-yloxy)-1H-indole-2-carboxylic acid ethyl ester
IUPAC: ethyl 6-bromo-5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indole-2-carboxylate

Names & synonyms

937718-65-5SCHEMBL1398003UFOJBVBJBPGIBM-UHFFFAOYSA-NDTXSID401137357DB-1088896-Bromo-5-(1-isopropyl-piperidin-4-yloxy)-1H-indole-2-carboxylic acid ethyl esterEthyl 6-bromo-5-[[1-(1-methylethyl)-4-piperidinyl]oxy]-1H-indole-2-carboxylateEthyl 6-bromo-5-{[1-(propan-2-yl)piperidin-4-yl]oxy}-1H-indole-2-carboxylate

Database identifiers

CAS: 937718-65-5
PubChem CID: 67017929
DTXSID: DTXSID401137357

Properties

Computed structural properties

XLogP: 4.7
Topological polar surface area: 54.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 25
Formal charge: 0
Complexity: 454

Related reactions

10 records

New reaction record

HRID 19885As productuspto-grants-2010_06

HRID 493992As productuspto-grants-2009_05

HRID 506760As reactantuspto-grants-2010_08

HRID 506761As productuspto-grants-2010_08

HRID 676200As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1560237As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1786452As productuspto-grants-2009_03

HRID 2105444As reactantuspto-grants-2009_08

Compound notes

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