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

C20H24ClN3O — CID 46558770

IUPAC2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)C(C)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C20H24ClN3O/c1-15-7-3-5-9-18(15)22-20(25)16(2)23-11-13-24(14-12-23)19-10-6-4-8-17(19)21/h3-10,16H,11-14H2,1-2H3,(H,22,25)
InChIKeyJBSNSZDMRSDGME-UHFFFAOYSA-N
MW357.89 g/mol
LogP3.80
Rot. Bonds4

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

2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)propanamide (PubChem CID 46558770) 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-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)propanamide
PubChem CID46558770
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC Name2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)C(C)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C20H24ClN3O/c1-15-7-3-5-9-18(15)22-20(25)16(2)23-11-13-24(14-12-23)19-10-6-4-8-17(19)21/h3-10,16H,11-14H2,1-2H3,(H,22,25)
InChIKeyJBSNSZDMRSDGME-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

(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]propanamide
CID 9445035
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 42858816
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)propanamide
CID 51168008
2-(4-acetylpiperazin-1-yl)-N-(2-methylphenyl)propanamide
CID 51167865
(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2,5-difluorophenyl)propanamide
CID 9444967
(2R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2,5-difluorophenyl)propanamide
CID 9444969
(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2,4-difluorophenyl)propanamide
CID 9444961
(2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-phenylpropanamide
CID 8725198
(2R)-N-(2-methylphenyl)-2-[4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]propanamide
CID 129397528
N-(2-chlorophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 46630893
N-tert-butyl-2-[4-(2-methylphenyl)piperazin-1-yl]propanamide
CID 18094346
(2S)-N-(2,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 2088438

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)propanamide?
The IUPAC name of 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)propanamide (CID 46558770) is 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)propanamide?
The canonical SMILES for 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)propanamide is Cc1ccccc1NC(=O)C(C)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)propanamide?
The InChIKey is JBSNSZDMRSDGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O/c1-15-7-3-5-9-18(15)22-20(25)16(2)23-11-13-24(14-12-23)19-10-6-4-8-17(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-(2-methylphenyl)propanamide?
2-[4-(2-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-(2-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 46558770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).