ethyl 1-[2-(2-bromophenyl)ethylcarbamoyl]piperidine-4-carboxylate

C17H23BrN2O3 — CID 48964132

IUPACethyl 1-[2-(2-bromophenyl)ethylcarbamoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)NCCc2ccccc2Br)CC1
InChIInChI=1S/C17H23BrN2O3/c1-2-23-16(21)14-8-11-20(12-9-14)17(22)19-10-7-13-5-3-4-6-15(13)18/h3-6,14H,2,7-12H2,1H3,(H,19,22)
InChIKeyZFAJXCOZQQETQZ-UHFFFAOYSA-N
MW383.29 g/mol
LogP2.98
Rot. Bonds5

About ethyl 1-[2-(2-bromophenyl)ethylcarbamoyl]piperidine-4-carboxylate

ethyl 1-[2-(2-bromophenyl)ethylcarbamoyl]piperidine-4-carboxylate (PubChem CID 48964132) has the molecular formula C17H23BrN2O3 and a molecular weight of 383.29 g/mol. Its IUPAC name is ethyl 1-[2-(2-bromophenyl)ethylcarbamoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(2-bromophenyl)ethylcarbamoyl]piperidine-4-carboxylate
PubChem CID48964132
Molecular FormulaC17H23BrN2O3
Molecular Weight383.29 g/mol
Exact Mass382.09
IUPAC Nameethyl 1-[2-(2-bromophenyl)ethylcarbamoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)NCCc2ccccc2Br)CC1
InChIInChI=1S/C17H23BrN2O3/c1-2-23-16(21)14-8-11-20(12-9-14)17(22)19-10-7-13-5-3-4-6-15(13)18/h3-6,14H,2,7-12H2,1H3,(H,19,22)
InChIKeyZFAJXCOZQQETQZ-UHFFFAOYSA-N
XLogP2.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.29
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 1-[2-(2-bromophenyl)ethylcarbamoyl]piperidine-4-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

ethyl 4-[2-(2-bromophenyl)ethylcarbamoyl]piperazine-1-carboxylate
CID 49132871
ethyl 1-[2-(5-bromo-2-fluorophenyl)ethylcarbamoyl]piperidine-4-carboxylate
CID 48636711
methyl 4-[2-(2-bromophenyl)ethylcarbamoyl]piperazine-1-carboxylate
CID 49132987
N-[2-(2-bromophenyl)ethyl]-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide
CID 86788748
ethyl 1-[(2-pyrrolidin-1-ylphenyl)methylcarbamoyl]piperidine-4-carboxylate
CID 60580696
ethyl 1-[N-[2-(2-methoxyphenyl)ethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111156073
ethyl 1-(pentylcarbamoyl)piperidine-4-carboxylate
CID 3860423
4-(2-aminoethyl)-N-[2-(2-bromophenyl)ethyl]piperazine-1-carboxamide
CID 108900519
ethyl 1-[2-(2-bromoanilino)-2-oxoacetyl]piperidine-4-carboxylate
CID 108504290
ethyl 4-[2-(2-methylphenyl)ethylcarbamoyl]piperazine-1-carboxylate
CID 38151040
N-[2-(2-bromophenyl)ethyl]-2-methylpiperidine-1-carboxamide
CID 48964058
ethyl 1-[[(2R)-4-phenylbutan-2-yl]carbamoyl]piperidine-4-carboxylate
CID 27534219

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(2-bromophenyl)ethylcarbamoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(2-bromophenyl)ethylcarbamoyl]piperidine-4-carboxylate (CID 48964132) is ethyl 1-[2-(2-bromophenyl)ethylcarbamoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(2-bromophenyl)ethylcarbamoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(2-bromophenyl)ethylcarbamoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)NCCc2ccccc2Br)CC1.
What is the InChIKey of ethyl 1-[2-(2-bromophenyl)ethylcarbamoyl]piperidine-4-carboxylate?
The InChIKey is ZFAJXCOZQQETQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O3/c1-2-23-16(21)14-8-11-20(12-9-14)17(22)19-10-7-13-5-3-4-6-15(13)18/h3-6,14H,2,7-12H2,1H3,(H,19,22).
What are the key properties of ethyl 1-[2-(2-bromophenyl)ethylcarbamoyl]piperidine-4-carboxylate?
ethyl 1-[2-(2-bromophenyl)ethylcarbamoyl]piperidine-4-carboxylate has a molecular weight of 383.29 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(2-bromophenyl)ethylcarbamoyl]piperidine-4-carboxylate is sourced from PubChem (CID 48964132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).