4-bromo-N-[3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]benzamide

C19H20BrN3O3S — CID 39948550

IUPAC4-bromo-N-[3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]benzamide
SMILESO=C(NCCC(=O)N1CCN(C(=O)c2cccs2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C19H20BrN3O3S/c20-15-5-3-14(4-6-15)18(25)21-8-7-17(24)22-9-11-23(12-10-22)19(26)16-2-1-13-27-16/h1-6,13H,7-12H2,(H,21,25)
InChIKeySBJZYLPEPIAVCZ-UHFFFAOYSA-N
MW450.36 g/mol
LogP2.62
Rot. Bonds5

About 4-bromo-N-[3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]benzamide

4-bromo-N-[3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]benzamide (PubChem CID 39948550) has the molecular formula C19H20BrN3O3S and a molecular weight of 450.36 g/mol. Its IUPAC name is 4-bromo-N-[3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]benzamide
PubChem CID39948550
Molecular FormulaC19H20BrN3O3S
Molecular Weight450.36 g/mol
Exact Mass449.04
IUPAC Name4-bromo-N-[3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]benzamide
SMILESO=C(NCCC(=O)N1CCN(C(=O)c2cccs2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C19H20BrN3O3S/c20-15-5-3-14(4-6-15)18(25)21-8-7-17(24)22-9-11-23(12-10-22)19(26)16-2-1-13-27-16/h1-6,13H,7-12H2,(H,21,25)
InChIKeySBJZYLPEPIAVCZ-UHFFFAOYSA-N
XLogP2.62
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-N-[3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-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-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]benzamide
CID 18115079
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]thiophene-2-carboxamide
CID 51180610
(4-bromophenyl)-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 108545062
4-bromo-N-[3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-3-oxopropyl]benzamide
CID 46413426
4-bromo-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]benzamide
CID 7964467
1-(4-bromophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 71333619
N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 78794624
4-bromo-N-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzamide
CID 38046364
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 60651403
4-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butanoic acid
CID 28708467
N-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-4-bromobenzamide;hydrochloride
CID 119376082
4-bromo-N-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]benzamide
CID 39580304

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]benzamide?
The IUPAC name of 4-bromo-N-[3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]benzamide (CID 39948550) is 4-bromo-N-[3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]benzamide is O=C(NCCC(=O)N1CCN(C(=O)c2cccs2)CC1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]benzamide?
The InChIKey is SBJZYLPEPIAVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O3S/c20-15-5-3-14(4-6-15)18(25)21-8-7-17(24)22-9-11-23(12-10-22)19(26)16-2-1-13-27-16/h1-6,13H,7-12H2,(H,21,25).
What are the key properties of 4-bromo-N-[3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]benzamide?
4-bromo-N-[3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]benzamide has a molecular weight of 450.36 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]benzamide is sourced from PubChem (CID 39948550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).