tert-butyl 4-(4-bromo-2-oxo-1,3-dihydroindol-3-yl)piperidine-1-carboxylate

C18H23BrN2O3 — CID 166638581

IUPACtert-butyl 4-(4-bromo-2-oxo-1,3-dihydroindol-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C2C(=O)Nc3cccc(Br)c32)CC1
InChIInChI=1S/C18H23BrN2O3/c1-18(2,3)24-17(23)21-9-7-11(8-10-21)14-15-12(19)5-4-6-13(15)20-16(14)22/h4-6,11,14H,7-10H2,1-3H3,(H,20,22)
InChIKeyULXMCUFZQLXFSQ-UHFFFAOYSA-N
MW395.30 g/mol
LogP4.13
Rot. Bonds1

About tert-butyl 4-(4-bromo-2-oxo-1,3-dihydroindol-3-yl)piperidine-1-carboxylate

tert-butyl 4-(4-bromo-2-oxo-1,3-dihydroindol-3-yl)piperidine-1-carboxylate (PubChem CID 166638581) has the molecular formula C18H23BrN2O3 and a molecular weight of 395.30 g/mol. Its IUPAC name is tert-butyl 4-(4-bromo-2-oxo-1,3-dihydroindol-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-bromo-2-oxo-1,3-dihydroindol-3-yl)piperidine-1-carboxylate
PubChem CID166638581
Molecular FormulaC18H23BrN2O3
Molecular Weight395.30 g/mol
Exact Mass394.09
IUPAC Nametert-butyl 4-(4-bromo-2-oxo-1,3-dihydroindol-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C2C(=O)Nc3cccc(Br)c32)CC1
InChIInChI=1S/C18H23BrN2O3/c1-18(2,3)24-17(23)21-9-7-11(8-10-21)14-15-12(19)5-4-6-13(15)20-16(14)22/h4-6,11,14H,7-10H2,1-3H3,(H,20,22)
InChIKeyULXMCUFZQLXFSQ-UHFFFAOYSA-N
XLogP4.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.30
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3R)-3-[(3S)-2-oxo-1,3-dihydroindol-3-yl]pyrrolidine-1-carboxylate
CID 98060720
tert-butyl 4-(2-oxo-1,3-dihydroindol-4-yl)piperidine-1-carboxylate
CID 166132108
tert-butyl 4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)azepane-1-carboxylate
CID 155679472
tert-butyl 4-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)piperazine-1-carboxylate
CID 59732047
tert-butyl 4-(2-bromophenyl)sulfonylpiperazine-1-carboxylate
CID 46743486
tert-butyl 4-[[(1S)-1-(2-bromophenyl)ethyl]amino]azepane-1-carboxylate
CID 113361622
tert-butyl 4-(4-bromo-2-sulfanylidene-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 155760884
tert-butyl 4-[(3S)-5-oxopyrrolidin-3-yl]piperidine-1-carboxylate
CID 97300200
tert-butyl 4-[3-(3-bromo-2-methylphenyl)propoxy]piperidine-1-carboxylate
CID 170321806
tert-butyl 4-[[(2-bromobenzoyl)amino]carbamoyl]piperidine-1-carboxylate
CID 29264674
tert-butyl 4-bromo-3-oxospiro[1H-indene-2,4'-piperidine]-1'-carboxylate
CID 155401145
tert-butyl 4-[(2-bromophenyl)-methylcarbamoyl]piperidine-1-carboxylate
CID 12027636

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-bromo-2-oxo-1,3-dihydroindol-3-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-bromo-2-oxo-1,3-dihydroindol-3-yl)piperidine-1-carboxylate (CID 166638581) is tert-butyl 4-(4-bromo-2-oxo-1,3-dihydroindol-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-bromo-2-oxo-1,3-dihydroindol-3-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-bromo-2-oxo-1,3-dihydroindol-3-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C2C(=O)Nc3cccc(Br)c32)CC1.
What is the InChIKey of tert-butyl 4-(4-bromo-2-oxo-1,3-dihydroindol-3-yl)piperidine-1-carboxylate?
The InChIKey is ULXMCUFZQLXFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2O3/c1-18(2,3)24-17(23)21-9-7-11(8-10-21)14-15-12(19)5-4-6-13(15)20-16(14)22/h4-6,11,14H,7-10H2,1-3H3,(H,20,22).
What are the key properties of tert-butyl 4-(4-bromo-2-oxo-1,3-dihydroindol-3-yl)piperidine-1-carboxylate?
tert-butyl 4-(4-bromo-2-oxo-1,3-dihydroindol-3-yl)piperidine-1-carboxylate has a molecular weight of 395.30 g/mol, XLogP of 4.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-bromo-2-oxo-1,3-dihydroindol-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 166638581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).