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

C22H28ClN3O — CID 38440949

IUPAC2-(4-chlorophenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide
SMILESCc1cccc(N2CCN(CCCNC(=O)Cc3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C22H28ClN3O/c1-18-4-2-5-21(16-18)26-14-12-25(13-15-26)11-3-10-24-22(27)17-19-6-8-20(23)9-7-19/h2,4-9,16H,3,10-15,17H2,1H3,(H,24,27)
InChIKeyNLGOILBYBAZBAP-UHFFFAOYSA-N
MW385.94 g/mol
LogP3.52
Rot. Bonds7

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

2-(4-chlorophenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide (PubChem CID 38440949) has the molecular formula C22H28ClN3O and a molecular weight of 385.94 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide
PubChem CID38440949
Molecular FormulaC22H28ClN3O
Molecular Weight385.94 g/mol
Exact Mass385.19
IUPAC Name2-(4-chlorophenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide
SMILESCc1cccc(N2CCN(CCCNC(=O)Cc3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C22H28ClN3O/c1-18-4-2-5-21(16-18)26-14-12-25(13-15-26)11-3-10-24-22(27)17-19-6-8-20(23)9-7-19/h2,4-9,16H,3,10-15,17H2,1H3,(H,24,27)
InChIKeyNLGOILBYBAZBAP-UHFFFAOYSA-N
XLogP3.52
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.94
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethoxyphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]acetamide
CID 34246704
3-(3-chlorophenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide
CID 55662231
2-chloro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide
CID 38441075
2-(4-chlorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 42266128
(1S)-2,2-dichloro-1-methyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]cyclopropane-1-carboxamide
CID 38440773
2-chloro-N-[1-[3-[4-(3-methylphenyl)piperazin-1-yl]propylamino]-1-oxopropan-2-yl]benzamide
CID 55652300
2-fluoro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 39306024
2,5-dimethyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 86981700
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methoxyacetamide
CID 56783071
N-(4-chlorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 60504794
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-3-thiophen-3-ylpropanamide
CID 38440769
2-chloro-N-[3-methyl-1-[3-[4-(3-methylphenyl)piperazin-1-yl]propylamino]-1-oxobutan-2-yl]benzamide
CID 46402931

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide (CID 38440949) is 2-(4-chlorophenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide is Cc1cccc(N2CCN(CCCNC(=O)Cc3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide?
The InChIKey is NLGOILBYBAZBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O/c1-18-4-2-5-21(16-18)26-14-12-25(13-15-26)11-3-10-24-22(27)17-19-6-8-20(23)9-7-19/h2,4-9,16H,3,10-15,17H2,1H3,(H,24,27).
What are the key properties of 2-(4-chlorophenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide?
2-(4-chlorophenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide has a molecular weight of 385.94 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide is sourced from PubChem (CID 38440949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).