(2-oxo-2-piperidin-1-ylethyl) 5-bromo-1H-indole-3-carboxylate

C16H17BrN2O3 — CID 55443248

IUPAC(2-oxo-2-piperidin-1-ylethyl) 5-bromo-1H-indole-3-carboxylate
SMILESO=C(OCC(=O)N1CCCCC1)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C16H17BrN2O3/c17-11-4-5-14-12(8-11)13(9-18-14)16(21)22-10-15(20)19-6-2-1-3-7-19/h4-5,8-9,18H,1-3,6-7,10H2
InChIKeyUBTMRFKZXYBSSM-UHFFFAOYSA-N
MW365.23 g/mol
LogP3.10
Rot. Bonds3

About (2-oxo-2-piperidin-1-ylethyl) 5-bromo-1H-indole-3-carboxylate

(2-oxo-2-piperidin-1-ylethyl) 5-bromo-1H-indole-3-carboxylate (PubChem CID 55443248) has the molecular formula C16H17BrN2O3 and a molecular weight of 365.23 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) 5-bromo-1H-indole-3-carboxylate.

Molecular Properties

Compound Name(2-oxo-2-piperidin-1-ylethyl) 5-bromo-1H-indole-3-carboxylate
PubChem CID55443248
Molecular FormulaC16H17BrN2O3
Molecular Weight365.23 g/mol
Exact Mass364.04
IUPAC Name(2-oxo-2-piperidin-1-ylethyl) 5-bromo-1H-indole-3-carboxylate
SMILESO=C(OCC(=O)N1CCCCC1)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C16H17BrN2O3/c17-11-4-5-14-12(8-11)13(9-18-14)16(21)22-10-15(20)19-6-2-1-3-7-19/h4-5,8-9,18H,1-3,6-7,10H2
InChIKeyUBTMRFKZXYBSSM-UHFFFAOYSA-N
XLogP3.10
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(azepan-1-yl)-2-oxoethyl] 7-bromo-2-methylquinoline-4-carboxylate
CID 75416815
[2-(azepan-1-yl)-2-oxoethyl] 3-bromobenzoate
CID 23990780
(2-oxo-2-piperidin-1-ylethyl) 2,4-dioxo-1H-pyrimidine-5-carboxylate
CID 2104794
1,2-bis(5-bromo-1H-indol-3-yl)ethane-1,2-dione
CID 69439956
[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl] 1H-indole-3-carboxylate
CID 7888926
(5-bromo-1H-indol-3-yl)-cycloheptylmethanone
CID 63491644
(2-oxo-2-piperidin-1-ylethyl) 2-oxo-1H-quinoline-4-carboxylate
CID 2646060
[2-(2,6-diethylanilino)-2-oxoethyl] 5-bromo-1H-indole-3-carboxylate
CID 55443135
5-bromo-1H-indole-3-carbohydrazide
CID 156904296
(5-bromo-1H-indol-3-yl)-cyclopentylmethanone
CID 43162090
(2-oxo-2-piperidin-1-ylethyl) 2,4-dihydroxybenzoate
CID 2537018
[2-(azepan-1-yl)-2-oxoethyl] 2,4-dichlorobenzoate
CID 23791825

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 5-bromo-1H-indole-3-carboxylate?
The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 5-bromo-1H-indole-3-carboxylate (CID 55443248) is (2-oxo-2-piperidin-1-ylethyl) 5-bromo-1H-indole-3-carboxylate.
What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) 5-bromo-1H-indole-3-carboxylate?
The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) 5-bromo-1H-indole-3-carboxylate is O=C(OCC(=O)N1CCCCC1)c1c[nH]c2ccc(Br)cc12.
What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) 5-bromo-1H-indole-3-carboxylate?
The InChIKey is UBTMRFKZXYBSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3/c17-11-4-5-14-12(8-11)13(9-18-14)16(21)22-10-15(20)19-6-2-1-3-7-19/h4-5,8-9,18H,1-3,6-7,10H2.
What are the key properties of (2-oxo-2-piperidin-1-ylethyl) 5-bromo-1H-indole-3-carboxylate?
(2-oxo-2-piperidin-1-ylethyl) 5-bromo-1H-indole-3-carboxylate has a molecular weight of 365.23 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-piperidin-1-ylethyl) 5-bromo-1H-indole-3-carboxylate is sourced from PubChem (CID 55443248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).