2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide

C17H24BrN3O — CID 46514218

IUPAC2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)N1CCN(Cc2ccccc2Br)CC1
InChIInChI=1S/C17H24BrN3O/c1-13(17(22)19-15-6-7-15)21-10-8-20(9-11-21)12-14-4-2-3-5-16(14)18/h2-5,13,15H,6-12H2,1H3,(H,19,22)
InChIKeyMMBUEHFRCZPEFE-UHFFFAOYSA-N
MW366.30 g/mol
LogP2.23
Rot. Bonds5

About 2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide

2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide (PubChem CID 46514218) has the molecular formula C17H24BrN3O and a molecular weight of 366.30 g/mol. Its IUPAC name is 2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
PubChem CID46514218
Molecular FormulaC17H24BrN3O
Molecular Weight366.30 g/mol
Exact Mass365.11
IUPAC Name2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)N1CCN(Cc2ccccc2Br)CC1
InChIInChI=1S/C17H24BrN3O/c1-13(17(22)19-15-6-7-15)21-10-8-20(9-11-21)12-14-4-2-3-5-16(14)18/h2-5,13,15H,6-12H2,1H3,(H,19,22)
InChIKeyMMBUEHFRCZPEFE-UHFFFAOYSA-N
XLogP2.23
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide 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

(2R)-N-cyclopropyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propanamide
CID 31688904
(2S)-N-cyclopropyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide
CID 9047076
2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]propanoic acid
CID 62312271
N-cyclopropyl-2-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]propanamide
CID 43043050
2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 51301703
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 2410459
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclohexylpropanamide
CID 51613241
(2R)-N-cyclopropyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
CID 8720757
(2S)-2-[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 94669702
(2S)-N-cyclopropyl-2-[4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazin-1-yl]propanamide
CID 30636587
(2S)-N-cyclopropyl-2-[4-[(7-fluoro-1-benzothiophen-3-yl)methyl]piperazin-1-yl]propanamide
CID 95975224
2-[4-[(1-cyanoindolizin-2-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 134045205

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide?
The IUPAC name of 2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide (CID 46514218) is 2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide.
What is the SMILES notation for 2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide?
The canonical SMILES for 2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide is CC(C(=O)NC1CC1)N1CCN(Cc2ccccc2Br)CC1.
What is the InChIKey of 2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide?
The InChIKey is MMBUEHFRCZPEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3O/c1-13(17(22)19-15-6-7-15)21-10-8-20(9-11-21)12-14-4-2-3-5-16(14)18/h2-5,13,15H,6-12H2,1H3,(H,19,22).
What are the key properties of 2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide?
2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide has a molecular weight of 366.30 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide is sourced from PubChem (CID 46514218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).