ethyl 5-bromo-6-chloro-1-phenyl-3-(piperidin-1-ylmethyl)indole-2-carboxylate

C23H24BrClN2O2 — CID 155377349

IUPACethyl 5-bromo-6-chloro-1-phenyl-3-(piperidin-1-ylmethyl)indole-2-carboxylate
SMILESCCOC(=O)c1c(CN2CCCCC2)c2cc(Br)c(Cl)cc2n1-c1ccccc1
InChIInChI=1S/C23H24BrClN2O2/c1-2-29-23(28)22-18(15-26-11-7-4-8-12-26)17-13-19(24)20(25)14-21(17)27(22)16-9-5-3-6-10-16/h3,5-6,9-10,13-14H,2,4,7-8,11-12,15H2,1H3
InChIKeyWWUKNOJDOZNWET-UHFFFAOYSA-N
MW475.81 g/mol
LogP6.21
Rot. Bonds5

About ethyl 5-bromo-6-chloro-1-phenyl-3-(piperidin-1-ylmethyl)indole-2-carboxylate

ethyl 5-bromo-6-chloro-1-phenyl-3-(piperidin-1-ylmethyl)indole-2-carboxylate (PubChem CID 155377349) has the molecular formula C23H24BrClN2O2 and a molecular weight of 475.81 g/mol. Its IUPAC name is ethyl 5-bromo-6-chloro-1-phenyl-3-(piperidin-1-ylmethyl)indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-bromo-6-chloro-1-phenyl-3-(piperidin-1-ylmethyl)indole-2-carboxylate
PubChem CID155377349
Molecular FormulaC23H24BrClN2O2
Molecular Weight475.81 g/mol
Exact Mass474.07
IUPAC Nameethyl 5-bromo-6-chloro-1-phenyl-3-(piperidin-1-ylmethyl)indole-2-carboxylate
SMILESCCOC(=O)c1c(CN2CCCCC2)c2cc(Br)c(Cl)cc2n1-c1ccccc1
InChIInChI=1S/C23H24BrClN2O2/c1-2-29-23(28)22-18(15-26-11-7-4-8-12-26)17-13-19(24)20(25)14-21(17)27(22)16-9-5-3-6-10-16/h3,5-6,9-10,13-14H,2,4,7-8,11-12,15H2,1H3
InChIKeyWWUKNOJDOZNWET-UHFFFAOYSA-N
XLogP6.21
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.81
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 5-bromo-6-chloro-1-phenyl-3-(piperidin-1-ylmethyl)indole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-6-chloro-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1-phenylindole-2-carboxylic acid
CID 155377404
ethyl 6-bromo-5-hydroxy-2-methyl-1-phenyl-4-(piperidin-1-ylmethyl)indole-3-carboxylate
CID 1253698
ethyl 5,6-difluoro-1-phenyl-3-piperidin-1-ylindole-2-carboxylate
CID 155367665
ethyl 6-bromo-1-(3-chlorophenyl)-5-hydroxy-2-methyl-4-(piperidin-1-ylmethyl)indole-3-carboxylate
CID 10481289
ethyl 6-bromo-1-(4-chlorophenyl)-5-hydroxy-2-methyl-4-(piperidin-1-ylmethyl)indole-3-carboxylate
CID 10029188
ethyl 3-benzyl-7-chloro-4-oxo-1-phenylquinoline-2-carboxylate
CID 59846219
6-bromo-4-[(dimethylazaniumyl)methyl]-3-ethoxycarbonyl-1-phenyl-2-(pyrrolidin-1-ylmethyl)indol-5-olate
CID 44664213
ethyl 6-bromo-5-methoxy-1-phenyl-2-(piperazin-1-ylmethyl)indole-3-carboxylate
CID 5300753
diethyl 3,4-dihydroxy-1-phenylpyrrole-2,5-dicarboxylate
CID 2801528
ethyl 5,6-dichloro-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxy-1-phenylindole-2-carboxylate
CID 155367815
ethyl 2-chloro-5,6,7,8-tetrahydroindolizine-3-carboxylate
CID 146496064
ethyl 6-bromo-2-(3-chlorobenzenecarbothioyl)-1-ethyl-5-hydroxy-4-(pyrrolidin-1-ylmethyl)indole-3-carboxylate
CID 87321728

Frequently Asked Questions

What is the IUPAC name of ethyl 5-bromo-6-chloro-1-phenyl-3-(piperidin-1-ylmethyl)indole-2-carboxylate?
The IUPAC name of ethyl 5-bromo-6-chloro-1-phenyl-3-(piperidin-1-ylmethyl)indole-2-carboxylate (CID 155377349) is ethyl 5-bromo-6-chloro-1-phenyl-3-(piperidin-1-ylmethyl)indole-2-carboxylate.
What is the SMILES notation for ethyl 5-bromo-6-chloro-1-phenyl-3-(piperidin-1-ylmethyl)indole-2-carboxylate?
The canonical SMILES for ethyl 5-bromo-6-chloro-1-phenyl-3-(piperidin-1-ylmethyl)indole-2-carboxylate is CCOC(=O)c1c(CN2CCCCC2)c2cc(Br)c(Cl)cc2n1-c1ccccc1.
What is the InChIKey of ethyl 5-bromo-6-chloro-1-phenyl-3-(piperidin-1-ylmethyl)indole-2-carboxylate?
The InChIKey is WWUKNOJDOZNWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrClN2O2/c1-2-29-23(28)22-18(15-26-11-7-4-8-12-26)17-13-19(24)20(25)14-21(17)27(22)16-9-5-3-6-10-16/h3,5-6,9-10,13-14H,2,4,7-8,11-12,15H2,1H3.
What are the key properties of ethyl 5-bromo-6-chloro-1-phenyl-3-(piperidin-1-ylmethyl)indole-2-carboxylate?
ethyl 5-bromo-6-chloro-1-phenyl-3-(piperidin-1-ylmethyl)indole-2-carboxylate has a molecular weight of 475.81 g/mol, XLogP of 6.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-bromo-6-chloro-1-phenyl-3-(piperidin-1-ylmethyl)indole-2-carboxylate is sourced from PubChem (CID 155377349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).