N-(3,4-dichlorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide

C20H23Cl2N3O — CID 109029431

IUPACN-(3,4-dichlorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
SMILESCc1cccc(N2CCN(CCC(=O)Nc3ccc(Cl)c(Cl)c3)CC2)c1
InChIInChI=1S/C20H23Cl2N3O/c1-15-3-2-4-17(13-15)25-11-9-24(10-12-25)8-7-20(26)23-16-5-6-18(21)19(22)14-16/h2-6,13-14H,7-12H2,1H3,(H,23,26)
InChIKeyCWDYJCAPKHJUOX-UHFFFAOYSA-N
MW392.33 g/mol
LogP4.45
Rot. Bonds5

About N-(3,4-dichlorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide

N-(3,4-dichlorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide (PubChem CID 109029431) has the molecular formula C20H23Cl2N3O and a molecular weight of 392.33 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
PubChem CID109029431
Molecular FormulaC20H23Cl2N3O
Molecular Weight392.33 g/mol
Exact Mass391.12
IUPAC NameN-(3,4-dichlorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
SMILESCc1cccc(N2CCN(CCC(=O)Nc3ccc(Cl)c(Cl)c3)CC2)c1
InChIInChI=1S/C20H23Cl2N3O/c1-15-3-2-4-17(13-15)25-11-9-24(10-12-25)8-7-20(26)23-16-5-6-18(21)19(22)14-16/h2-6,13-14H,7-12H2,1H3,(H,23,26)
InChIKeyCWDYJCAPKHJUOX-UHFFFAOYSA-N
XLogP4.45
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.33
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,4-dichlorophenyl)-3-[4-(3-methylphenyl)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-(4-chlorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 60504794
3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide
CID 42858886
N-(6-amino-3-pyridinyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 119516064
N-(3-methoxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109029405
N-(4-ethoxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109029408
N-(5-methyl-1,2-oxazol-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 35799420
N-(4-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride
CID 19661863
N-(3-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride
CID 19661841
3-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid;dihydrochloride
CID 43810604
N-benzyl-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109018781
(2S)-2-[3-[4-(3-methylphenyl)piperazin-1-yl]propanoylamino]propanoic acid
CID 119943282
N-(1-amino-2-methylpropan-2-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 119524019

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(3,4-dichlorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide (CID 109029431) is N-(3,4-dichlorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide is Cc1cccc(N2CCN(CCC(=O)Nc3ccc(Cl)c(Cl)c3)CC2)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide?
The InChIKey is CWDYJCAPKHJUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O/c1-15-3-2-4-17(13-15)25-11-9-24(10-12-25)8-7-20(26)23-16-5-6-18(21)19(22)14-16/h2-6,13-14H,7-12H2,1H3,(H,23,26).
What are the key properties of N-(3,4-dichlorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide?
N-(3,4-dichlorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide has a molecular weight of 392.33 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 109029431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).