N-(4-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride

C20H26ClN3O — CID 19661863

IUPACN-(4-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride
SMILESCc1ccc(NC(=O)CCN2CCN(c3ccccc3)CC2)cc1.Cl
InChIInChI=1S/C20H25N3O.ClH/c1-17-7-9-18(10-8-17)21-20(24)11-12-22-13-15-23(16-14-22)19-5-3-2-4-6-19;/h2-10H,11-16H2,1H3,(H,21,24);1H
InChIKeyXTFJTTBCTPSXRG-UHFFFAOYSA-N
MW359.90 g/mol
LogP3.57
Rot. Bonds5

About N-(4-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride

N-(4-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride (PubChem CID 19661863) has the molecular formula C20H26ClN3O and a molecular weight of 359.90 g/mol. Its IUPAC name is N-(4-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride
PubChem CID19661863
Molecular FormulaC20H26ClN3O
Molecular Weight359.90 g/mol
Exact Mass359.18
IUPAC NameN-(4-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride
SMILESCc1ccc(NC(=O)CCN2CCN(c3ccccc3)CC2)cc1.Cl
InChIInChI=1S/C20H25N3O.ClH/c1-17-7-9-18(10-8-17)21-20(24)11-12-22-13-15-23(16-14-22)19-5-3-2-4-6-19;/h2-10H,11-16H2,1H3,(H,21,24);1H
InChIKeyXTFJTTBCTPSXRG-UHFFFAOYSA-N
XLogP3.57
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.90
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride 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-tert-butylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 109027175
N-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;dihydrochloride
CID 19661853
N-[(4-methylphenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide
CID 109019767
N-(4-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 109030344
N-(4-chlorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 60504794
methyl 4-[4-[3-(4-phenylpiperazin-1-yl)propanoylamino]phenyl]butanoate
CID 14209810
N-(3-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride
CID 19661841
3-(4-methylpiperazin-1-yl)-N-phenylpropanamide
CID 719539
N-(4-methylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide chloride
CID 53312696
N-(5-methyl-1,2-oxazol-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 707006
N-(4-ethoxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109029408
3-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 109027170

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride?
The IUPAC name of N-(4-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride (CID 19661863) is N-(4-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride.
What is the SMILES notation for N-(4-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride?
The canonical SMILES for N-(4-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride is Cc1ccc(NC(=O)CCN2CCN(c3ccccc3)CC2)cc1.Cl.
What is the InChIKey of N-(4-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride?
The InChIKey is XTFJTTBCTPSXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O.ClH/c1-17-7-9-18(10-8-17)21-20(24)11-12-22-13-15-23(16-14-22)19-5-3-2-4-6-19;/h2-10H,11-16H2,1H3,(H,21,24);1H.
What are the key properties of N-(4-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride?
N-(4-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride has a molecular weight of 359.90 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride is sourced from PubChem (CID 19661863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).