4-bromo-N-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]benzamide

C21H23BrN2O2 — CID 39580304

IUPAC4-bromo-N-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]benzamide
SMILESO=C(NCCC(=O)N1CCC(c2ccccc2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C21H23BrN2O2/c22-19-8-6-18(7-9-19)21(26)23-13-10-20(25)24-14-11-17(12-15-24)16-4-2-1-3-5-16/h1-9,17H,10-15H2,(H,23,26)
InChIKeyLUZCRJNJRBMSAO-UHFFFAOYSA-N
MW415.33 g/mol
LogP3.98
Rot. Bonds5

About 4-bromo-N-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]benzamide

4-bromo-N-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]benzamide (PubChem CID 39580304) has the molecular formula C21H23BrN2O2 and a molecular weight of 415.33 g/mol. Its IUPAC name is 4-bromo-N-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]benzamide
PubChem CID39580304
Molecular FormulaC21H23BrN2O2
Molecular Weight415.33 g/mol
Exact Mass414.09
IUPAC Name4-bromo-N-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]benzamide
SMILESO=C(NCCC(=O)N1CCC(c2ccccc2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C21H23BrN2O2/c22-19-8-6-18(7-9-19)21(26)23-13-10-20(25)24-14-11-17(12-15-24)16-4-2-1-3-5-16/h1-9,17H,10-15H2,(H,23,26)
InChIKeyLUZCRJNJRBMSAO-UHFFFAOYSA-N
XLogP3.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.33
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-N-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]benzamide 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

N-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-4-bromobenzamide;hydrochloride
CID 119376082
4-chloro-N-[4-oxo-4-(4-phenylpiperidin-1-yl)butyl]benzamide
CID 39582079
4-bromo-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]benzamide
CID 7964467
N-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]pyrazine-2-carboxamide
CID 47841965
1-cyclohexyl-3-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]urea
CID 46588795
N-[3-(3-aminopiperidin-1-yl)-3-oxopropyl]-4-bromobenzamide
CID 119380849
N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 17154515
4-[2-(4-phenylpiperidin-1-yl)ethylcarbamoyl]benzoic acid
CID 74239784
4-benzoyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 18157014
4-bromo-N-[3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]benzamide
CID 39948550
4-bromo-N-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]benzamide
CID 119579891
N-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 31414440

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]benzamide?
The IUPAC name of 4-bromo-N-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]benzamide (CID 39580304) is 4-bromo-N-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]benzamide is O=C(NCCC(=O)N1CCC(c2ccccc2)CC1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]benzamide?
The InChIKey is LUZCRJNJRBMSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN2O2/c22-19-8-6-18(7-9-19)21(26)23-13-10-20(25)24-14-11-17(12-15-24)16-4-2-1-3-5-16/h1-9,17H,10-15H2,(H,23,26).
What are the key properties of 4-bromo-N-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]benzamide?
4-bromo-N-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]benzamide has a molecular weight of 415.33 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]benzamide is sourced from PubChem (CID 39580304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).