N-(4-chloro-2-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide

C20H24ClN3O — CID 109027177

IUPACN-(4-chloro-2-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide
SMILESCc1cc(Cl)ccc1NC(=O)CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H24ClN3O/c1-16-15-17(21)7-8-19(16)22-20(25)9-10-23-11-13-24(14-12-23)18-5-3-2-4-6-18/h2-8,15H,9-14H2,1H3,(H,22,25)
InChIKeyOXLRTMXUTQNDBG-UHFFFAOYSA-N
MW357.89 g/mol
LogP3.80
Rot. Bonds5

About N-(4-chloro-2-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide

N-(4-chloro-2-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide (PubChem CID 109027177) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide
PubChem CID109027177
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC NameN-(4-chloro-2-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide
SMILESCc1cc(Cl)ccc1NC(=O)CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H24ClN3O/c1-16-15-17(21)7-8-19(16)22-20(25)9-10-23-11-13-24(14-12-23)18-5-3-2-4-6-18/h2-8,15H,9-14H2,1H3,(H,22,25)
InChIKeyOXLRTMXUTQNDBG-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-(2,4-dichlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 109027205
N-(3-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride
CID 19661841
N-(4-chloro-2-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 109014572
N-(2-tert-butylphenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propanamide
CID 109029785
N-(3-chloro-2-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide;oxalic acid
CID 171154325
N-(4-chloro-2-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 30099925
N-(4-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 8704214
3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide
CID 42858886
N-(2,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 109027327
3-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 109027170
N-(4-chlorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 60504794
N-(4-chloro-2-methylphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8005862

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide (CID 109027177) is N-(4-chloro-2-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide is Cc1cc(Cl)ccc1NC(=O)CCN1CCN(c2ccccc2)CC1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide?
The InChIKey is OXLRTMXUTQNDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O/c1-16-15-17(21)7-8-19(16)22-20(25)9-10-23-11-13-24(14-12-23)18-5-3-2-4-6-18/h2-8,15H,9-14H2,1H3,(H,22,25).
What are the key properties of N-(4-chloro-2-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide?
N-(4-chloro-2-methylphenyl)-3-(4-phenylpiperazin-1-yl)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 N-(4-chloro-2-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide is sourced from PubChem (CID 109027177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).