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{4-[5-(4-Isopropyl-piperazine-1-carbonyl)-1H-indole-2-carbonyl]-piperazin-1-yl}-piperidin-1-yl-methanone

HCID 68533742
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)N1CCN(C(=O)c2ccc3[nH]c(C(=O)N4CCN(C(=O)N5CCCCC5)CC4)cc3c2)CC1
InChIKey
YHGKLEPHMGHMDW-UHFFFAOYSA-N
Molecular formula
C27H38N6O3
Average molar mass
494.6 g/mol

Names & identifiers

Preferred name
{4-[5-(4-Isopropyl-piperazine-1-carbonyl)-1H-indole-2-carbonyl]-piperazin-1-yl}-piperidin-1-yl-methanone
IUPAC
[2-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

Names & synonyms

SCHEMBL3159808YHGKLEPHMGHMDW-UHFFFAOYSA-N{4-[5-(4-Isopropyl-piperazine-1-carbonyl)-1H-indole-2-carbonyl]-piperazin-1-yl}-piperidin-1-yl-methanone

Database identifiers

PubChem CID
68533742

Properties

Computed structural properties

XLogP
2
Topological polar surface area
83.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
36
Formal charge
0
Complexity
799

Related reactions

5 records
New reaction record
HRID 834443 reaction equation
HRID 834443As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 936071 reaction equation
HRID 936071As productValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1992466 reaction equation
HRID 1992466As productuspto-grants-2010_01
HRID 1992470 reaction equation
HRID 1992470As reactantuspto-grants-2010_01
HRID 1992471 reaction equation
HRID 1992471As reactantuspto-grants-2010_01

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes