2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)propanamide

C20H24ClN3O — CID 51168008

IUPAC2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)C(C)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H24ClN3O/c1-15-6-3-4-9-19(15)22-20(25)16(2)23-10-12-24(13-11-23)18-8-5-7-17(21)14-18/h3-9,14,16H,10-13H2,1-2H3,(H,22,25)
InChIKeyDZPKWSUFIQBTSZ-UHFFFAOYSA-N
MW357.89 g/mol
LogP3.80
Rot. Bonds4

About 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)propanamide

2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)propanamide (PubChem CID 51168008) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)propanamide
PubChem CID51168008
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC Name2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)C(C)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H24ClN3O/c1-15-6-3-4-9-19(15)22-20(25)16(2)23-10-12-24(13-11-23)18-8-5-7-17(21)14-18/h3-9,14,16H,10-13H2,1-2H3,(H,22,25)
InChIKeyDZPKWSUFIQBTSZ-UHFFFAOYSA-N
XLogP3.80
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

(2S)-N-(5-chloro-2-methylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]propanamide
CID 9442745
(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 9442657
(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,4-dichlorophenyl)propanamide
CID 7858169
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)propanamide
CID 46558770
(2R)-N-(2,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 9250150
2-(4-acetylpiperazin-1-yl)-N-(2-methylphenyl)propanamide
CID 51167865
(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]propanamide
CID 9445035
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclohexylpropanamide
CID 46043602
(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 9431500
(2S)-N-(2-methylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide
CID 31629845
4-(3-chlorophenyl)-N-(2-methylphenyl)piperazine-1-carbothioamide
CID 854798
(2S)-N-(3-chlorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide
CID 92987466

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)propanamide?
The IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)propanamide (CID 51168008) is 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)propanamide?
The canonical SMILES for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)propanamide is Cc1ccccc1NC(=O)C(C)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)propanamide?
The InChIKey is DZPKWSUFIQBTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O/c1-15-6-3-4-9-19(15)22-20(25)16(2)23-10-12-24(13-11-23)18-8-5-7-17(21)14-18/h3-9,14,16H,10-13H2,1-2H3,(H,22,25).
What are the key properties of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)propanamide?
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)propanamide has a molecular weight of 357.89 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 51168008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).