N-(2-bromophenyl)-3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]propanamide

C22H28BrN3O3 — CID 60501821

IUPACN-(2-bromophenyl)-3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]propanamide
SMILESCOc1ccc(OC)c(CN2CCN(CCC(=O)Nc3ccccc3Br)CC2)c1
InChIInChI=1S/C22H28BrN3O3/c1-28-18-7-8-21(29-2)17(15-18)16-26-13-11-25(12-14-26)10-9-22(27)24-20-6-4-3-5-19(20)23/h3-8,15H,9-14,16H2,1-2H3,(H,24,27)
InChIKeyKVLIWVQQTLHDNV-UHFFFAOYSA-N
MW462.39 g/mol
LogP3.61
Rot. Bonds8

About N-(2-bromophenyl)-3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]propanamide

N-(2-bromophenyl)-3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]propanamide (PubChem CID 60501821) has the molecular formula C22H28BrN3O3 and a molecular weight of 462.39 g/mol. Its IUPAC name is N-(2-bromophenyl)-3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]propanamide
PubChem CID60501821
Molecular FormulaC22H28BrN3O3
Molecular Weight462.39 g/mol
Exact Mass461.13
IUPAC NameN-(2-bromophenyl)-3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]propanamide
SMILESCOc1ccc(OC)c(CN2CCN(CCC(=O)Nc3ccccc3Br)CC2)c1
InChIInChI=1S/C22H28BrN3O3/c1-28-18-7-8-21(29-2)17(15-18)16-26-13-11-25(12-14-26)10-9-22(27)24-20-6-4-3-5-19(20)23/h3-8,15H,9-14,16H2,1-2H3,(H,24,27)
InChIKeyKVLIWVQQTLHDNV-UHFFFAOYSA-N
XLogP3.61
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-bromophenyl)-3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-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

N-(2-bromophenyl)-3-pyrrolidin-1-ylpropanamide
CID 47148429
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-phenylacetamide
CID 30735955
3-(4-acetylpiperazin-1-yl)-N-(2,5-dimethoxyphenyl)propanamide
CID 109018366
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-methylacetamide
CID 30986347
3-(azepan-1-yl)-N-(2,4-dimethoxyphenyl)propanamide;hydrochloride
CID 2901116
N-(2,5-dimethoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109033777
3-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 30737783
N-(3,5-dimethoxyphenyl)-2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 31129802
N-(2-bromophenyl)-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 100511227
N-(2,4-dimethoxyphenyl)-3-morpholin-4-ylpropanamide
CID 772656
2-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 171702460
N-(2,4-dimethoxyphenyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide
CID 91830032

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]propanamide?
The IUPAC name of N-(2-bromophenyl)-3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]propanamide (CID 60501821) is N-(2-bromophenyl)-3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2-bromophenyl)-3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-(2-bromophenyl)-3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]propanamide is COc1ccc(OC)c(CN2CCN(CCC(=O)Nc3ccccc3Br)CC2)c1.
What is the InChIKey of N-(2-bromophenyl)-3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]propanamide?
The InChIKey is KVLIWVQQTLHDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28BrN3O3/c1-28-18-7-8-21(29-2)17(15-18)16-26-13-11-25(12-14-26)10-9-22(27)24-20-6-4-3-5-19(20)23/h3-8,15H,9-14,16H2,1-2H3,(H,24,27).
What are the key properties of N-(2-bromophenyl)-3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]propanamide?
N-(2-bromophenyl)-3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]propanamide has a molecular weight of 462.39 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 60501821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).