1-(5-piperazin-1-yl-2,3-dihydroindol-1-yl)butan-1-one

C16H23N3O — CID 28707300

IUPAC1-(5-piperazin-1-yl-2,3-dihydroindol-1-yl)butan-1-one
SMILESCCCC(=O)N1CCc2cc(N3CCNCC3)ccc21
InChIInChI=1S/C16H23N3O/c1-2-3-16(20)19-9-6-13-12-14(4-5-15(13)19)18-10-7-17-8-11-18/h4-5,12,17H,2-3,6-11H2,1H3
InChIKeyFIIHYCQAEACVBY-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.79
Rot. Bonds3

About 1-(5-piperazin-1-yl-2,3-dihydroindol-1-yl)butan-1-one

1-(5-piperazin-1-yl-2,3-dihydroindol-1-yl)butan-1-one (PubChem CID 28707300) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(5-piperazin-1-yl-2,3-dihydroindol-1-yl)butan-1-one.

Molecular Properties

Compound Name1-(5-piperazin-1-yl-2,3-dihydroindol-1-yl)butan-1-one
PubChem CID28707300
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-(5-piperazin-1-yl-2,3-dihydroindol-1-yl)butan-1-one
SMILESCCCC(=O)N1CCc2cc(N3CCNCC3)ccc21
InChIInChI=1S/C16H23N3O/c1-2-3-16(20)19-9-6-13-12-14(4-5-15(13)19)18-10-7-17-8-11-18/h4-5,12,17H,2-3,6-11H2,1H3
InChIKeyFIIHYCQAEACVBY-UHFFFAOYSA-N
XLogP1.79
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-butanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43142326
1-[6-(2-piperazin-1-ylethyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one
CID 95414968
N-[3-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 110355069
1-(5-nitro-2,3-dihydroindol-1-yl)butan-1-one
CID 3584767
1-[5-(4-benzylpiperazin-1-yl)-2,3-dihydroindol-1-yl]ethanone;1-(6-piperazin-1-yl-2,3-dihydroindol-1-yl)ethanone
CID 161177802
6-(4-butanoylpiperazin-1-yl)-1-methyl-3,4-dihydroquinolin-2-one
CID 110414460
ethyl 5-pyrrolidin-1-yl-2,3-dihydroindole-1-carboxylate
CID 110316008
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)piperazin-1-yl]ethanone
CID 82537881
3-(4-methoxyphenyl)-1-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)propan-1-one
CID 110316014
5-piperazin-1-yl-1-propyl-3H-indol-2-one
CID 117099888
4-amino-1-(1-butanoyl-2,3-dihydroindol-5-yl)butan-1-one
CID 82340972
1-[5-(piperidine-2-carbonyl)-2,3-dihydroindol-1-yl]butan-1-one
CID 82340965

Frequently Asked Questions

What is the IUPAC name of 1-(5-piperazin-1-yl-2,3-dihydroindol-1-yl)butan-1-one?
The IUPAC name of 1-(5-piperazin-1-yl-2,3-dihydroindol-1-yl)butan-1-one (CID 28707300) is 1-(5-piperazin-1-yl-2,3-dihydroindol-1-yl)butan-1-one.
What is the SMILES notation for 1-(5-piperazin-1-yl-2,3-dihydroindol-1-yl)butan-1-one?
The canonical SMILES for 1-(5-piperazin-1-yl-2,3-dihydroindol-1-yl)butan-1-one is CCCC(=O)N1CCc2cc(N3CCNCC3)ccc21.
What is the InChIKey of 1-(5-piperazin-1-yl-2,3-dihydroindol-1-yl)butan-1-one?
The InChIKey is FIIHYCQAEACVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-3-16(20)19-9-6-13-12-14(4-5-15(13)19)18-10-7-17-8-11-18/h4-5,12,17H,2-3,6-11H2,1H3.
What are the key properties of 1-(5-piperazin-1-yl-2,3-dihydroindol-1-yl)butan-1-one?
1-(5-piperazin-1-yl-2,3-dihydroindol-1-yl)butan-1-one has a molecular weight of 273.38 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-piperazin-1-yl-2,3-dihydroindol-1-yl)butan-1-one is sourced from PubChem (CID 28707300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).