3-(4-aminopiperidin-1-yl)-5-bromo-1,3-dihydroindol-2-one

C13H16BrN3O — CID 43130809

IUPAC3-(4-aminopiperidin-1-yl)-5-bromo-1,3-dihydroindol-2-one
SMILESNC1CCN(C2C(=O)Nc3ccc(Br)cc32)CC1
InChIInChI=1S/C13H16BrN3O/c14-8-1-2-11-10(7-8)12(13(18)16-11)17-5-3-9(15)4-6-17/h1-2,7,9,12H,3-6,15H2,(H,16,18)
InChIKeyNBLXGQGWUGPWFB-UHFFFAOYSA-N
MW310.19 g/mol
LogP1.87
Rot. Bonds1

About 3-(4-aminopiperidin-1-yl)-5-bromo-1,3-dihydroindol-2-one

3-(4-aminopiperidin-1-yl)-5-bromo-1,3-dihydroindol-2-one (PubChem CID 43130809) has the molecular formula C13H16BrN3O and a molecular weight of 310.19 g/mol. Its IUPAC name is 3-(4-aminopiperidin-1-yl)-5-bromo-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(4-aminopiperidin-1-yl)-5-bromo-1,3-dihydroindol-2-one
PubChem CID43130809
Molecular FormulaC13H16BrN3O
Molecular Weight310.19 g/mol
Exact Mass309.05
IUPAC Name3-(4-aminopiperidin-1-yl)-5-bromo-1,3-dihydroindol-2-one
SMILESNC1CCN(C2C(=O)Nc3ccc(Br)cc32)CC1
InChIInChI=1S/C13H16BrN3O/c14-8-1-2-11-10(7-8)12(13(18)16-11)17-5-3-9(15)4-6-17/h1-2,7,9,12H,3-6,15H2,(H,16,18)
InChIKeyNBLXGQGWUGPWFB-UHFFFAOYSA-N
XLogP1.87
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-aminopiperidin-1-yl)-6-bromo-1,3-dihydroindol-2-one
CID 43130847
3-(5-bromo-2-oxo-1,3-dihydroindol-3-yl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 171985927
(3S)-5-bromo-3-hydroxy-1,3-dihydroindol-2-one
CID 714172
3-bromo-6,7,11b,13-tetrahydroisoquinolino[2,1-a]quinoxalin-12-one
CID 79272071
(3S,4R)-6-bromo-3-morpholin-4-yl-4-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 1162856
4-bromo-14-thia-1,8-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5,11(15),12-pentaen-9-one
CID 79296402
5-bromo-3-(4-tert-butylcyclohexyl)-1,3-dihydroindol-2-one
CID 106986932
5-bromo-3-(cyclohexylmethylamino)-1,3-dihydroindol-2-one
CID 43371475
9-bromo-2,3,4,4a,6,10b-hexahydro-1H-benzo[c][2,7]naphthyridin-5-one
CID 84642766
5-bromo-3-(cyclohexylamino)-1,3-dihydroindol-2-one
CID 43189941
5-bromo-3-(2-pyrrolidin-1-ylethylamino)-1,3-dihydroindol-2-one
CID 43203362
(4S)-6-bromo-3-[(1-methylpiperidin-4-yl)methyl]-4-phenyl-1,4-dihydroquinazolin-2-one
CID 125499699

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminopiperidin-1-yl)-5-bromo-1,3-dihydroindol-2-one?
The IUPAC name of 3-(4-aminopiperidin-1-yl)-5-bromo-1,3-dihydroindol-2-one (CID 43130809) is 3-(4-aminopiperidin-1-yl)-5-bromo-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(4-aminopiperidin-1-yl)-5-bromo-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(4-aminopiperidin-1-yl)-5-bromo-1,3-dihydroindol-2-one is NC1CCN(C2C(=O)Nc3ccc(Br)cc32)CC1.
What is the InChIKey of 3-(4-aminopiperidin-1-yl)-5-bromo-1,3-dihydroindol-2-one?
The InChIKey is NBLXGQGWUGPWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O/c14-8-1-2-11-10(7-8)12(13(18)16-11)17-5-3-9(15)4-6-17/h1-2,7,9,12H,3-6,15H2,(H,16,18).
What are the key properties of 3-(4-aminopiperidin-1-yl)-5-bromo-1,3-dihydroindol-2-one?
3-(4-aminopiperidin-1-yl)-5-bromo-1,3-dihydroindol-2-one has a molecular weight of 310.19 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminopiperidin-1-yl)-5-bromo-1,3-dihydroindol-2-one is sourced from PubChem (CID 43130809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).