N-[(4-methylphenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide

C21H27N3O — CID 109019767

IUPACN-[(4-methylphenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide
SMILESCc1ccc(CNC(=O)CCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H27N3O/c1-18-7-9-19(10-8-18)17-22-21(25)11-12-23-13-15-24(16-14-23)20-5-3-2-4-6-20/h2-10H,11-17H2,1H3,(H,22,25)
InChIKeyJFMBMUJDRAMEIU-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.82
Rot. Bonds6

About N-[(4-methylphenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide

N-[(4-methylphenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide (PubChem CID 109019767) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide
PubChem CID109019767
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC NameN-[(4-methylphenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide
SMILESCc1ccc(CNC(=O)CCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H27N3O/c1-18-7-9-19(10-8-18)17-22-21(25)11-12-23-13-15-24(16-14-23)20-5-3-2-4-6-20/h2-10H,11-17H2,1H3,(H,22,25)
InChIKeyJFMBMUJDRAMEIU-UHFFFAOYSA-N
XLogP2.82
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-methylphenyl)methyl]-3-(4-phenylpiperazin-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-benzyl-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109018781
N'-[(4-methylphenyl)methyl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 42268265
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 109019783
N-benzyl-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109018803
N-(4-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride
CID 19661863
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 109019781
N-[(2-fluorophenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide
CID 109020701
N-[(4-methylphenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34943408
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide
CID 71998190
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide
CID 71984489
N-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylpiperazin-1-yl)propanamide
CID 109025748
N-(3-hydroxy-4-methylpentyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 111540277

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide (CID 109019767) is N-[(4-methylphenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide is Cc1ccc(CNC(=O)CCN2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide?
The InChIKey is JFMBMUJDRAMEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-18-7-9-19(10-8-18)17-22-21(25)11-12-23-13-15-24(16-14-23)20-5-3-2-4-6-20/h2-10H,11-17H2,1H3,(H,22,25).
What are the key properties of N-[(4-methylphenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide?
N-[(4-methylphenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide has a molecular weight of 337.47 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide is sourced from PubChem (CID 109019767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).