2-(3-formylpiperazin-1-yl)-1-phenylindole-3-carbaldehyde

C20H19N3O2 — CID 88916499

IUPAC2-(3-formylpiperazin-1-yl)-1-phenylindole-3-carbaldehyde
SMILESO=Cc1c(N2CCNC(C=O)C2)n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C20H19N3O2/c24-13-15-12-22(11-10-21-15)20-18(14-25)17-8-4-5-9-19(17)23(20)16-6-2-1-3-7-16/h1-9,13-15,21H,10-12H2
InChIKeyRYGFXJHZTGNBRC-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.42
Rot. Bonds4

About 2-(3-formylpiperazin-1-yl)-1-phenylindole-3-carbaldehyde

2-(3-formylpiperazin-1-yl)-1-phenylindole-3-carbaldehyde (PubChem CID 88916499) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-(3-formylpiperazin-1-yl)-1-phenylindole-3-carbaldehyde.

Molecular Properties

Compound Name2-(3-formylpiperazin-1-yl)-1-phenylindole-3-carbaldehyde
PubChem CID88916499
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name2-(3-formylpiperazin-1-yl)-1-phenylindole-3-carbaldehyde
SMILESO=Cc1c(N2CCNC(C=O)C2)n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C20H19N3O2/c24-13-15-12-22(11-10-21-15)20-18(14-25)17-8-4-5-9-19(17)23(20)16-6-2-1-3-7-16/h1-9,13-15,21H,10-12H2
InChIKeyRYGFXJHZTGNBRC-UHFFFAOYSA-N
XLogP2.42
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-methyl-1-phenyl-2-piperazin-1-ylindole-3-carbaldehyde
CID 59754754
1-(4-butylphenyl)-2-piperazin-1-ylindole-3-carbaldehyde;hydrochloride
CID 86596814
2-chloro-1-thiophen-3-ylindole-3-carbaldehyde;2-piperazin-1-yl-1-thiophen-3-ylindole-3-carbaldehyde
CID 87892459
2-chloro-1-(4-methyl-3-nitrophenyl)indole-3-carbaldehyde;1-(4-methyl-3-nitrophenyl)-2-piperazin-1-ylindole-3-carbaldehyde
CID 87749176
3-formyl-2-oxo-1-phenylquinolin-4-olate
CID 51371497
10-carbazol-9-ylanthracene-9-carbaldehyde
CID 134598541
1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde
CID 82397497
N-benzyl-2-(3-formyl-1-phenylindol-2-yl)sulfanylacetamide
CID 132567534
1-(4-hydroxyphenyl)-2-methylindole-3-carbaldehyde
CID 87772568
2-bromo-6-(9-phenylcarbazol-3-yl)benzaldehyde
CID 134338050
4-(2-oxo-1-phenylquinolin-4-yl)-1-phenylquinolin-2-one
CID 11503080
3-bromo-1-phenylindole-2-carboxylic acid
CID 102533933

Frequently Asked Questions

What is the IUPAC name of 2-(3-formylpiperazin-1-yl)-1-phenylindole-3-carbaldehyde?
The IUPAC name of 2-(3-formylpiperazin-1-yl)-1-phenylindole-3-carbaldehyde (CID 88916499) is 2-(3-formylpiperazin-1-yl)-1-phenylindole-3-carbaldehyde.
What is the SMILES notation for 2-(3-formylpiperazin-1-yl)-1-phenylindole-3-carbaldehyde?
The canonical SMILES for 2-(3-formylpiperazin-1-yl)-1-phenylindole-3-carbaldehyde is O=Cc1c(N2CCNC(C=O)C2)n(-c2ccccc2)c2ccccc12.
What is the InChIKey of 2-(3-formylpiperazin-1-yl)-1-phenylindole-3-carbaldehyde?
The InChIKey is RYGFXJHZTGNBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-13-15-12-22(11-10-21-15)20-18(14-25)17-8-4-5-9-19(17)23(20)16-6-2-1-3-7-16/h1-9,13-15,21H,10-12H2.
What are the key properties of 2-(3-formylpiperazin-1-yl)-1-phenylindole-3-carbaldehyde?
2-(3-formylpiperazin-1-yl)-1-phenylindole-3-carbaldehyde has a molecular weight of 333.39 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-formylpiperazin-1-yl)-1-phenylindole-3-carbaldehyde is sourced from PubChem (CID 88916499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).