4-(2,3-dihydroindol-1-yl)-1-piperazin-1-ylbutan-1-one

C16H23N3O — CID 39284028

IUPAC4-(2,3-dihydroindol-1-yl)-1-piperazin-1-ylbutan-1-one
SMILESO=C(CCCN1CCc2ccccc21)N1CCNCC1
InChIInChI=1S/C16H23N3O/c20-16(19-12-8-17-9-13-19)6-3-10-18-11-7-14-4-1-2-5-15(14)18/h1-2,4-5,17H,3,6-13H2
InChIKeyVLUQUXGKFWJVKL-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.26
Rot. Bonds4

About 4-(2,3-dihydroindol-1-yl)-1-piperazin-1-ylbutan-1-one

4-(2,3-dihydroindol-1-yl)-1-piperazin-1-ylbutan-1-one (PubChem CID 39284028) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-yl)-1-piperazin-1-ylbutan-1-one.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-yl)-1-piperazin-1-ylbutan-1-one
PubChem CID39284028
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name4-(2,3-dihydroindol-1-yl)-1-piperazin-1-ylbutan-1-one
SMILESO=C(CCCN1CCc2ccccc21)N1CCNCC1
InChIInChI=1S/C16H23N3O/c20-16(19-12-8-17-9-13-19)6-3-10-18-11-7-14-4-1-2-5-15(14)18/h1-2,4-5,17H,3,6-13H2
InChIKeyVLUQUXGKFWJVKL-UHFFFAOYSA-N
XLogP1.26
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4-diazepan-1-yl)-2-(2,3-dihydroindol-1-yl)ethanone;dihydrochloride
CID 119417200
1-(2-piperazin-1-ylethyl)-2,3-dihydroindole
CID 28704454
1-(4-piperazin-1-ylbutyl)-3,4-dihydro-2H-quinoline
CID 28808284
1,3-bis(2,3-dihydroindol-1-yl)propan-1-one
CID 109034718
1-(azepan-1-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 109033505
1-(4-benzylpiperidin-1-yl)-3-(2,3-dihydroindol-1-yl)propan-1-one
CID 109032481
1-butyl-2,3-dihydroindole
CID 4167209
N-[3-(2,3-dihydroindol-1-yl)propyl]piperidin-4-amine
CID 54902685
N-[2-(2,3-dihydroindol-1-yl)ethyl]piperidine-4-carboxamide
CID 155615979
1-(2-oxo-2-piperazin-1-ylethyl)-3H-indol-2-one
CID 24696851
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide;dihydrochloride
CID 119851222

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-yl)-1-piperazin-1-ylbutan-1-one?
The IUPAC name of 4-(2,3-dihydroindol-1-yl)-1-piperazin-1-ylbutan-1-one (CID 39284028) is 4-(2,3-dihydroindol-1-yl)-1-piperazin-1-ylbutan-1-one.
What is the SMILES notation for 4-(2,3-dihydroindol-1-yl)-1-piperazin-1-ylbutan-1-one?
The canonical SMILES for 4-(2,3-dihydroindol-1-yl)-1-piperazin-1-ylbutan-1-one is O=C(CCCN1CCc2ccccc21)N1CCNCC1.
What is the InChIKey of 4-(2,3-dihydroindol-1-yl)-1-piperazin-1-ylbutan-1-one?
The InChIKey is VLUQUXGKFWJVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c20-16(19-12-8-17-9-13-19)6-3-10-18-11-7-14-4-1-2-5-15(14)18/h1-2,4-5,17H,3,6-13H2.
What are the key properties of 4-(2,3-dihydroindol-1-yl)-1-piperazin-1-ylbutan-1-one?
4-(2,3-dihydroindol-1-yl)-1-piperazin-1-ylbutan-1-one has a molecular weight of 273.38 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-yl)-1-piperazin-1-ylbutan-1-one is sourced from PubChem (CID 39284028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).