ethyl 3-(4-bromophenyl)-3-(piperidine-4-carbonylamino)propanoate;hydrochloride

C17H24BrClN2O3 — CID 119316763

IUPACethyl 3-(4-bromophenyl)-3-(piperidine-4-carbonylamino)propanoate;hydrochloride
SMILESCCOC(=O)CC(NC(=O)C1CCNCC1)c1ccc(Br)cc1.Cl
InChIInChI=1S/C17H23BrN2O3.ClH/c1-2-23-16(21)11-15(12-3-5-14(18)6-4-12)20-17(22)13-7-9-19-10-8-13;/h3-6,13,15,19H,2,7-11H2,1H3,(H,20,22);1H
InChIKeyMUEXDJCVNXVGAC-UHFFFAOYSA-N
MW419.75 g/mol
LogP2.98
Rot. Bonds6

About ethyl 3-(4-bromophenyl)-3-(piperidine-4-carbonylamino)propanoate;hydrochloride

ethyl 3-(4-bromophenyl)-3-(piperidine-4-carbonylamino)propanoate;hydrochloride (PubChem CID 119316763) has the molecular formula C17H24BrClN2O3 and a molecular weight of 419.75 g/mol. Its IUPAC name is ethyl 3-(4-bromophenyl)-3-(piperidine-4-carbonylamino)propanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 3-(4-bromophenyl)-3-(piperidine-4-carbonylamino)propanoate;hydrochloride
PubChem CID119316763
Molecular FormulaC17H24BrClN2O3
Molecular Weight419.75 g/mol
Exact Mass418.07
IUPAC Nameethyl 3-(4-bromophenyl)-3-(piperidine-4-carbonylamino)propanoate;hydrochloride
SMILESCCOC(=O)CC(NC(=O)C1CCNCC1)c1ccc(Br)cc1.Cl
InChIInChI=1S/C17H23BrN2O3.ClH/c1-2-23-16(21)11-15(12-3-5-14(18)6-4-12)20-17(22)13-7-9-19-10-8-13;/h3-6,13,15,19H,2,7-11H2,1H3,(H,20,22);1H
InChIKeyMUEXDJCVNXVGAC-UHFFFAOYSA-N
XLogP2.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.75
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 3-(4-bromophenyl)-3-(piperidine-4-carbonylamino)propanoate;hydrochloride 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

methyl 3-(4-bromophenyl)-3-(oxane-4-carbonylamino)propanoate
CID 51256962
propan-2-yl 3-phenyl-3-(piperidine-4-carbonylamino)propanoate
CID 119274330
ethyl 3-(3-aminopropanoylamino)-3-(4-bromophenyl)propanoate;hydrochloride
CID 119316759
ethyl (3S)-3-[(4,4-difluorocyclohexanecarbonyl)amino]-3-phenylpropanoate
CID 10131981
ethyl 3-(4-fluorophenyl)-3-(3-piperidin-4-ylbutanoylamino)propanoate;hydrochloride
CID 119755361
3-acetamido-3-(4-bromophenyl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119389659
N-(1-phenylpropyl)piperidine-4-carboxamide;hydrochloride
CID 119279862
ethyl (3S)-3-(oxolane-3-carbonylamino)-3-phenylpropanoate
CID 58782549
ethyl 3-[(3-aminocyclohexanecarbonyl)amino]-3-(4-fluorophenyl)propanoate;hydrochloride
CID 119755345
ethyl 3-(4-fluorophenyl)-3-(3-piperidin-4-ylbutanoylamino)propanoate
CID 119755362
ethyl 3-(4-bromophenyl)-3-[[2-methyl-3-(methylamino)propanoyl]amino]propanoate
CID 119771874
N-(2-methoxy-1-phenylethyl)piperidine-4-carboxamide;hydrochloride
CID 119315129

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-bromophenyl)-3-(piperidine-4-carbonylamino)propanoate;hydrochloride?
The IUPAC name of ethyl 3-(4-bromophenyl)-3-(piperidine-4-carbonylamino)propanoate;hydrochloride (CID 119316763) is ethyl 3-(4-bromophenyl)-3-(piperidine-4-carbonylamino)propanoate;hydrochloride.
What is the SMILES notation for ethyl 3-(4-bromophenyl)-3-(piperidine-4-carbonylamino)propanoate;hydrochloride?
The canonical SMILES for ethyl 3-(4-bromophenyl)-3-(piperidine-4-carbonylamino)propanoate;hydrochloride is CCOC(=O)CC(NC(=O)C1CCNCC1)c1ccc(Br)cc1.Cl.
What is the InChIKey of ethyl 3-(4-bromophenyl)-3-(piperidine-4-carbonylamino)propanoate;hydrochloride?
The InChIKey is MUEXDJCVNXVGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O3.ClH/c1-2-23-16(21)11-15(12-3-5-14(18)6-4-12)20-17(22)13-7-9-19-10-8-13;/h3-6,13,15,19H,2,7-11H2,1H3,(H,20,22);1H.
What are the key properties of ethyl 3-(4-bromophenyl)-3-(piperidine-4-carbonylamino)propanoate;hydrochloride?
ethyl 3-(4-bromophenyl)-3-(piperidine-4-carbonylamino)propanoate;hydrochloride has a molecular weight of 419.75 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-bromophenyl)-3-(piperidine-4-carbonylamino)propanoate;hydrochloride is sourced from PubChem (CID 119316763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).