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

C20H24ClN3O — CID 42858816

IUPAC2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)N2CCN(c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C20H24ClN3O/c1-15-7-9-17(10-8-15)22-20(25)16(2)23-11-13-24(14-12-23)19-6-4-3-5-18(19)21/h3-10,16H,11-14H2,1-2H3,(H,22,25)
InChIKeyBRFXOHUIKBFXCO-UHFFFAOYSA-N
MW357.89 g/mol
LogP3.80
Rot. Bonds4

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

2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide (PubChem CID 42858816) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
PubChem CID42858816
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC Name2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)N2CCN(c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C20H24ClN3O/c1-15-7-9-17(10-8-15)22-20(25)16(2)23-11-13-24(14-12-23)19-6-4-3-5-18(19)21/h3-10,16H,11-14H2,1-2H3,(H,22,25)
InChIKeyBRFXOHUIKBFXCO-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

2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)propanamide
CID 46558770
(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 9445071
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 17484909
(2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-phenylpropanamide
CID 8725198
(2R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 9445025
(2R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide
CID 8704511
(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]propanamide
CID 9445035
N-(4-chlorophenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 18078421
N-(3,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 4797002
(2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 8725348
N-(4-fluorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide
CID 46043327
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide
CID 4877630

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide?
The IUPAC name of 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide (CID 42858816) is 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide?
The canonical SMILES for 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)C(C)N2CCN(c3ccccc3Cl)CC2)cc1.
What is the InChIKey of 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide?
The InChIKey is BRFXOHUIKBFXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O/c1-15-7-9-17(10-8-15)22-20(25)16(2)23-11-13-24(14-12-23)19-6-4-3-5-18(19)21/h3-10,16H,11-14H2,1-2H3,(H,22,25).
What are the key properties of 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide?
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-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-(2-chlorophenyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 42858816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).