3-acetamido-3-(4-bromophenyl)-N-(2-methylpiperidin-3-yl)propanamide

C17H24BrN3O2 — CID 120577272

IUPAC3-acetamido-3-(4-bromophenyl)-N-(2-methylpiperidin-3-yl)propanamide
SMILESCC(=O)NC(CC(=O)NC1CCCNC1C)c1ccc(Br)cc1
InChIInChI=1S/C17H24BrN3O2/c1-11-15(4-3-9-19-11)21-17(23)10-16(20-12(2)22)13-5-7-14(18)8-6-13/h5-8,11,15-16,19H,3-4,9-10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyGTHILTDISHZALL-UHFFFAOYSA-N
MW382.30 g/mol
LogP2.27
Rot. Bonds5

About 3-acetamido-3-(4-bromophenyl)-N-(2-methylpiperidin-3-yl)propanamide

3-acetamido-3-(4-bromophenyl)-N-(2-methylpiperidin-3-yl)propanamide (PubChem CID 120577272) has the molecular formula C17H24BrN3O2 and a molecular weight of 382.30 g/mol. Its IUPAC name is 3-acetamido-3-(4-bromophenyl)-N-(2-methylpiperidin-3-yl)propanamide.

Molecular Properties

Compound Name3-acetamido-3-(4-bromophenyl)-N-(2-methylpiperidin-3-yl)propanamide
PubChem CID120577272
Molecular FormulaC17H24BrN3O2
Molecular Weight382.30 g/mol
Exact Mass381.11
IUPAC Name3-acetamido-3-(4-bromophenyl)-N-(2-methylpiperidin-3-yl)propanamide
SMILESCC(=O)NC(CC(=O)NC1CCCNC1C)c1ccc(Br)cc1
InChIInChI=1S/C17H24BrN3O2/c1-11-15(4-3-9-19-11)21-17(23)10-16(20-12(2)22)13-5-7-14(18)8-6-13/h5-8,11,15-16,19H,3-4,9-10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyGTHILTDISHZALL-UHFFFAOYSA-N
XLogP2.27
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.30
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-acetamido-3-(4-bromophenyl)-N-(2-methylpiperidin-3-yl)propanamide 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

3-acetamido-3-(4-methylphenyl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120576079
3-acetamido-3-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride
CID 120574869
3-acetamido-3-(4-bromophenyl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119389659
3-acetamido-3-(2,4-difluorophenyl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120576940
4-methyl-N-[3-[(2-methylpiperidin-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 120577601
3-acetamido-N-(4-aminocyclohexyl)-3-(4-bromophenyl)propanamide;hydrochloride
CID 119478278
2-(4-bromophenoxy)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120575570
3-acetamido-3-(4-bromophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119463786
N-[1-(4-bromophenyl)-3-(3-methylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 119580068
2-(5-bromo-2-methoxyphenyl)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120577760
3-(2-bromophenyl)sulfanyl-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride
CID 120573590
2-(5-bromothiophen-2-yl)-N-(2-methylpiperidin-3-yl)acetamide
CID 120575828

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-bromophenyl)-N-(2-methylpiperidin-3-yl)propanamide?
The IUPAC name of 3-acetamido-3-(4-bromophenyl)-N-(2-methylpiperidin-3-yl)propanamide (CID 120577272) is 3-acetamido-3-(4-bromophenyl)-N-(2-methylpiperidin-3-yl)propanamide.
What is the SMILES notation for 3-acetamido-3-(4-bromophenyl)-N-(2-methylpiperidin-3-yl)propanamide?
The canonical SMILES for 3-acetamido-3-(4-bromophenyl)-N-(2-methylpiperidin-3-yl)propanamide is CC(=O)NC(CC(=O)NC1CCCNC1C)c1ccc(Br)cc1.
What is the InChIKey of 3-acetamido-3-(4-bromophenyl)-N-(2-methylpiperidin-3-yl)propanamide?
The InChIKey is GTHILTDISHZALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3O2/c1-11-15(4-3-9-19-11)21-17(23)10-16(20-12(2)22)13-5-7-14(18)8-6-13/h5-8,11,15-16,19H,3-4,9-10H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 3-acetamido-3-(4-bromophenyl)-N-(2-methylpiperidin-3-yl)propanamide?
3-acetamido-3-(4-bromophenyl)-N-(2-methylpiperidin-3-yl)propanamide has a molecular weight of 382.30 g/mol, XLogP of 2.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-bromophenyl)-N-(2-methylpiperidin-3-yl)propanamide is sourced from PubChem (CID 120577272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).