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

C20H24ClN3O — CID 42858886

IUPAC3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCN2CCN(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C20H24ClN3O/c1-16-3-2-4-18(15-16)22-20(25)9-10-23-11-13-24(14-12-23)19-7-5-17(21)6-8-19/h2-8,15H,9-14H2,1H3,(H,22,25)
InChIKeyRVRIVENLZKVWKT-UHFFFAOYSA-N
MW357.89 g/mol
LogP3.80
Rot. Bonds5

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

3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide (PubChem CID 42858886) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide
PubChem CID42858886
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC Name3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCN2CCN(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C20H24ClN3O/c1-16-3-2-4-18(15-16)22-20(25)9-10-23-11-13-24(14-12-23)19-7-5-17(21)6-8-19/h2-8,15H,9-14H2,1H3,(H,22,25)
InChIKeyRVRIVENLZKVWKT-UHFFFAOYSA-N
XLogP3.80
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 60504794
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 6466210
N-(3,4-dichlorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109029431
N-(3-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride
CID 19661841
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide
CID 771783
4-(4-chlorophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 851976
ethane;N-(3-methylphenyl)-3-piperidin-1-ylpropanamide
CID 143383579
N-(3-methoxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109029405
N-(3-chlorophenyl)-3-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide
CID 60500788
3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 729690
N-(4-chloro-2-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 109027177
4-(4-chlorophenyl)-N-(3-methylphenyl)piperazine-1-carbothioamide
CID 19654424

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide (CID 42858886) is 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide is Cc1cccc(NC(=O)CCN2CCN(c3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide?
The InChIKey is RVRIVENLZKVWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O/c1-16-3-2-4-18(15-16)22-20(25)9-10-23-11-13-24(14-12-23)19-7-5-17(21)6-8-19/h2-8,15H,9-14H2,1H3,(H,22,25).
What are the key properties of 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide?
3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide has a molecular weight of 357.89 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 42858886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).