benzyl 4-(4-oxopiperidin-1-yl)-2,3-dihydroindole-1-carboxylate

C21H22N2O3 — CID 170624508

IUPACbenzyl 4-(4-oxopiperidin-1-yl)-2,3-dihydroindole-1-carboxylate
SMILESO=C1CCN(c2cccc3c2CCN3C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C21H22N2O3/c24-17-9-12-22(13-10-17)19-7-4-8-20-18(19)11-14-23(20)21(25)26-15-16-5-2-1-3-6-16/h1-8H,9-15H2
InChIKeyBQFGHLVZOAMGRG-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.56
Rot. Bonds3

About benzyl 4-(4-oxopiperidin-1-yl)-2,3-dihydroindole-1-carboxylate

benzyl 4-(4-oxopiperidin-1-yl)-2,3-dihydroindole-1-carboxylate (PubChem CID 170624508) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is benzyl 4-(4-oxopiperidin-1-yl)-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(4-oxopiperidin-1-yl)-2,3-dihydroindole-1-carboxylate
PubChem CID170624508
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Namebenzyl 4-(4-oxopiperidin-1-yl)-2,3-dihydroindole-1-carboxylate
SMILESO=C1CCN(c2cccc3c2CCN3C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C21H22N2O3/c24-17-9-12-22(13-10-17)19-7-4-8-20-18(19)11-14-23(20)21(25)26-15-16-5-2-1-3-6-16/h1-8H,9-15H2
InChIKeyBQFGHLVZOAMGRG-UHFFFAOYSA-N
XLogP3.56
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 4-(4-ethoxycarbonylpiperidin-1-yl)-2,3-dihydroindole-1-carboxylate
CID 175962179
benzyl 4-(2-hydroxyphenyl)piperazine-1-carboxylate
CID 19034142
benzyl 2,4-dioxopyrrolidine-1-carboxylate
CID 10847223
(3S)-2-oxo-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 172842635
benzyl 4-(2-aminophenyl)piperazine-1-carboxylate
CID 118318710
benzyl 8-iodo-2,3-dihydro-1,4-benzoxazine-4-carboxylate
CID 133060080
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 2-oxo-1,3-thiazolidine-3-carboxylate
CID 86013885
5-bromo-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 156702328
benzyl (1S,8S)-8-fluoro-5-oxo-2-azabicyclo[5.1.0]octane-2-carboxylate
CID 177267563
benzyl (1S,7S)-5-oxo-2-azabicyclo[5.1.0]octane-2-carboxylate
CID 177275622
benzyl aziridine-1-carboxylate;silane
CID 158496499

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(4-oxopiperidin-1-yl)-2,3-dihydroindole-1-carboxylate?
The IUPAC name of benzyl 4-(4-oxopiperidin-1-yl)-2,3-dihydroindole-1-carboxylate (CID 170624508) is benzyl 4-(4-oxopiperidin-1-yl)-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for benzyl 4-(4-oxopiperidin-1-yl)-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for benzyl 4-(4-oxopiperidin-1-yl)-2,3-dihydroindole-1-carboxylate is O=C1CCN(c2cccc3c2CCN3C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-(4-oxopiperidin-1-yl)-2,3-dihydroindole-1-carboxylate?
The InChIKey is BQFGHLVZOAMGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c24-17-9-12-22(13-10-17)19-7-4-8-20-18(19)11-14-23(20)21(25)26-15-16-5-2-1-3-6-16/h1-8H,9-15H2.
What are the key properties of benzyl 4-(4-oxopiperidin-1-yl)-2,3-dihydroindole-1-carboxylate?
benzyl 4-(4-oxopiperidin-1-yl)-2,3-dihydroindole-1-carboxylate has a molecular weight of 350.42 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(4-oxopiperidin-1-yl)-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 170624508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).