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(4-Cyclopropanecarbonyl-piperazin-1-yl)-[5-(1-isopropyl-piperidin-4-yloxy)-1H-indol-2-yl]-methanone

HCID 68565643
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CC(C)N1CCC(Oc2ccc3[nH]c(C(=O)N4CCN(C(=O)C5CC5)CC4)cc3c2)CC1
InChIKey
RAIJKTOTALLBJV-UHFFFAOYSA-N
Molecular formula
C25H34N4O3
Average molar mass
438.6 g/mol

Names & identifiers

Preferred name
(4-Cyclopropanecarbonyl-piperazin-1-yl)-[5-(1-isopropyl-piperidin-4-yloxy)-1H-indol-2-yl]-methanone
IUPAC
cyclopropyl-[4-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indole-2-carbonyl]piperazin-1-yl]methanone

Names & synonyms

SCHEMBL3248126RAIJKTOTALLBJV-UHFFFAOYSA-N(4-Cyclopropanecarbonyl-piperazin-1-yl)-[5-(1-isopropyl-piperidin-4-yloxy)-1H-indol-2-yl]-methanone

Database identifiers

PubChem CID
68565643

Properties

Computed structural propertiesFilling in

XLogP
2.9
Topological polar surface area
68.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
32
Formal charge
0
Complexity
681

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Related reactions

2 records
New reaction record
HRID 1232933 reaction equation
HRID 1232933As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1786489 reaction equation
HRID 1786489As productuspto-grants-2009_03

Compound notes

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