4-(2-bromo-3-ethyl-1H-indol-5-yl)piperidine-1-carboxylic acid

C16H19BrN2O2 — CID 146575356

IUPAC4-(2-bromo-3-ethyl-1H-indol-5-yl)piperidine-1-carboxylic acid
SMILESCCc1c(Br)[nH]c2ccc(C3CCN(C(=O)O)CC3)cc12
InChIInChI=1S/C16H19BrN2O2/c1-2-12-13-9-11(3-4-14(13)18-15(12)17)10-5-7-19(8-6-10)16(20)21/h3-4,9-10,18H,2,5-8H2,1H3,(H,20,21)
InChIKeyBCANLERGKZYRKS-UHFFFAOYSA-N
MW351.24 g/mol
LogP4.35
Rot. Bonds2

About 4-(2-bromo-3-ethyl-1H-indol-5-yl)piperidine-1-carboxylic acid

4-(2-bromo-3-ethyl-1H-indol-5-yl)piperidine-1-carboxylic acid (PubChem CID 146575356) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is 4-(2-bromo-3-ethyl-1H-indol-5-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-bromo-3-ethyl-1H-indol-5-yl)piperidine-1-carboxylic acid
PubChem CID146575356
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name4-(2-bromo-3-ethyl-1H-indol-5-yl)piperidine-1-carboxylic acid
SMILESCCc1c(Br)[nH]c2ccc(C3CCN(C(=O)O)CC3)cc12
InChIInChI=1S/C16H19BrN2O2/c1-2-12-13-9-11(3-4-14(13)18-15(12)17)10-5-7-19(8-6-10)16(20)21/h3-4,9-10,18H,2,5-8H2,1H3,(H,20,21)
InChIKeyBCANLERGKZYRKS-UHFFFAOYSA-N
XLogP4.35
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-3-(cyclopropylmethyl)-5-(1-ethylpiperidin-4-yl)-1H-indole
CID 175223729
tert-butyl 4-[3-ethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-5-yl]piperidine-1-carboxylate
CID 147015714
[4-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]piperidin-1-yl]-(4-methylpiperidin-4-yl)methanone
CID 134231041
2-amino-1-[4-[3-ethyl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanone
CID 142594157
4-[2-(2-chloro-6-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylic acid
CID 146575365
4-(3-iodo-2H-indazol-5-yl)piperidine-1-carboxylic acid
CID 67981320
4-(5-chloro-2-methyl-1H-indol-3-yl)piperidine-1-carboxylic acid
CID 22312003
4-(3-hydroxy-4-methylphenyl)piperidine-1-carboxylic acid
CID 166759957
4-(4-propylphenyl)piperidine-1-carboxylic acid
CID 90967974
4-[3-ethyl-2-(3-formyl-4-methoxyphenyl)-1H-indol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide
CID 166754131
tert-butyl 3-bromo-4-[3-ethyl-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1H-indol-2-yl]-1H-pyrrolo[2,3-b]pyridin-7-ium-7-carboxylate
CID 142593920
4-[4-(hydroxymethyl)-3-methylphenyl]piperidine-1-carboxylic acid
CID 66622737

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-3-ethyl-1H-indol-5-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(2-bromo-3-ethyl-1H-indol-5-yl)piperidine-1-carboxylic acid (CID 146575356) is 4-(2-bromo-3-ethyl-1H-indol-5-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(2-bromo-3-ethyl-1H-indol-5-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(2-bromo-3-ethyl-1H-indol-5-yl)piperidine-1-carboxylic acid is CCc1c(Br)[nH]c2ccc(C3CCN(C(=O)O)CC3)cc12.
What is the InChIKey of 4-(2-bromo-3-ethyl-1H-indol-5-yl)piperidine-1-carboxylic acid?
The InChIKey is BCANLERGKZYRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-2-12-13-9-11(3-4-14(13)18-15(12)17)10-5-7-19(8-6-10)16(20)21/h3-4,9-10,18H,2,5-8H2,1H3,(H,20,21).
What are the key properties of 4-(2-bromo-3-ethyl-1H-indol-5-yl)piperidine-1-carboxylic acid?
4-(2-bromo-3-ethyl-1H-indol-5-yl)piperidine-1-carboxylic acid has a molecular weight of 351.24 g/mol, XLogP of 4.35, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-3-ethyl-1H-indol-5-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 146575356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).