tert-butyl 4-[3-(2-acetyloxybutyl)-2-oxo-3H-indol-1-yl]piperidine-1-carboxylate

C24H34N2O5 — CID 90270864

IUPACtert-butyl 4-[3-(2-acetyloxybutyl)-2-oxo-3H-indol-1-yl]piperidine-1-carboxylate
SMILESCCC(CC1C(=O)N(C2CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21)OC(C)=O
InChIInChI=1S/C24H34N2O5/c1-6-18(30-16(2)27)15-20-19-9-7-8-10-21(19)26(22(20)28)17-11-13-25(14-12-17)23(29)31-24(3,4)5/h7-10,17-18,20H,6,11-15H2,1-5H3
InChIKeyUSLUTFJBDQIOOG-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.25
Rot. Bonds5

About tert-butyl 4-[3-(2-acetyloxybutyl)-2-oxo-3H-indol-1-yl]piperidine-1-carboxylate

tert-butyl 4-[3-(2-acetyloxybutyl)-2-oxo-3H-indol-1-yl]piperidine-1-carboxylate (PubChem CID 90270864) has the molecular formula C24H34N2O5 and a molecular weight of 430.55 g/mol. Its IUPAC name is tert-butyl 4-[3-(2-acetyloxybutyl)-2-oxo-3H-indol-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-(2-acetyloxybutyl)-2-oxo-3H-indol-1-yl]piperidine-1-carboxylate
PubChem CID90270864
Molecular FormulaC24H34N2O5
Molecular Weight430.55 g/mol
Exact Mass430.25
IUPAC Nametert-butyl 4-[3-(2-acetyloxybutyl)-2-oxo-3H-indol-1-yl]piperidine-1-carboxylate
SMILESCCC(CC1C(=O)N(C2CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21)OC(C)=O
InChIInChI=1S/C24H34N2O5/c1-6-18(30-16(2)27)15-20-19-9-7-8-10-21(19)26(22(20)28)17-11-13-25(14-12-17)23(29)31-24(3,4)5/h7-10,17-18,20H,6,11-15H2,1-5H3
InChIKeyUSLUTFJBDQIOOG-UHFFFAOYSA-N
XLogP4.25
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[3-(2-acetyloxybutyl)-2-oxo-3H-indol-1-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-(2-oxo-3H-indol-1-yl)piperidine-1-carboxylate
CID 67472855
tert-butyl 4-(3-hydroxy-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 66800319
tert-butyl 4-(2-hydroxy-2,3-dihydrobenzimidazol-1-yl)piperidine-1-carboxylate
CID 126544996
tert-butyl 4-(4,9-dioxobenzo[f]benzotriazol-3-yl)piperidine-1-carboxylate
CID 25194500
tert-butyl 1-benzyl-7-methyl-2-oxo-3,5,6,7-tetrahydro-1,4-benzodiazonine-4-carboxylate
CID 18788217
tert-butyl 4-[3-(1,3-dioxoisoindol-2-yl)azetidin-1-yl]piperidine-1-carboxylate
CID 166030831
[(3R)-1-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-2-oxopyrrolidin-3-yl]-triphenylphosphanium bromide
CID 23550206
4-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) piperazine-1,4-dicarboxylate
CID 129193688
tert-butyl 4-[hydroxy(phenyl)methyl]piperidine-1-carboxylate
CID 11818626
tert-butyl (4R)-4-(2-methylphenyl)-3-oxopiperidine-1-carboxylate
CID 95566700
tert-butyl 4-[(2S)-2-amino-2-phenylethyl]piperidine-1-carboxylate
CID 124671052
tert-butyl 4-(2-phenylpiperidin-1-yl)piperidine-1-carboxylate
CID 10759909

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-(2-acetyloxybutyl)-2-oxo-3H-indol-1-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-(2-acetyloxybutyl)-2-oxo-3H-indol-1-yl]piperidine-1-carboxylate (CID 90270864) is tert-butyl 4-[3-(2-acetyloxybutyl)-2-oxo-3H-indol-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-(2-acetyloxybutyl)-2-oxo-3H-indol-1-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-(2-acetyloxybutyl)-2-oxo-3H-indol-1-yl]piperidine-1-carboxylate is CCC(CC1C(=O)N(C2CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21)OC(C)=O.
What is the InChIKey of tert-butyl 4-[3-(2-acetyloxybutyl)-2-oxo-3H-indol-1-yl]piperidine-1-carboxylate?
The InChIKey is USLUTFJBDQIOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O5/c1-6-18(30-16(2)27)15-20-19-9-7-8-10-21(19)26(22(20)28)17-11-13-25(14-12-17)23(29)31-24(3,4)5/h7-10,17-18,20H,6,11-15H2,1-5H3.
What are the key properties of tert-butyl 4-[3-(2-acetyloxybutyl)-2-oxo-3H-indol-1-yl]piperidine-1-carboxylate?
tert-butyl 4-[3-(2-acetyloxybutyl)-2-oxo-3H-indol-1-yl]piperidine-1-carboxylate has a molecular weight of 430.55 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-(2-acetyloxybutyl)-2-oxo-3H-indol-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 90270864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).