2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxo-N-(3-phenylpropyl)acetamide

C22H27N3O2 — CID 108986075

IUPAC2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxo-N-(3-phenylpropyl)acetamide
SMILESCc1cccc(N2CCN(C(=O)C(=O)NCCCc3ccccc3)CC2)c1
InChIInChI=1S/C22H27N3O2/c1-18-7-5-11-20(17-18)24-13-15-25(16-14-24)22(27)21(26)23-12-6-10-19-8-3-2-4-9-19/h2-5,7-9,11,17H,6,10,12-16H2,1H3,(H,23,26)
InChIKeyBCWKIYMIVXQAOJ-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.39
Rot. Bonds5

About 2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxo-N-(3-phenylpropyl)acetamide

2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxo-N-(3-phenylpropyl)acetamide (PubChem CID 108986075) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxo-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxo-N-(3-phenylpropyl)acetamide
PubChem CID108986075
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxo-N-(3-phenylpropyl)acetamide
SMILESCc1cccc(N2CCN(C(=O)C(=O)NCCCc3ccccc3)CC2)c1
InChIInChI=1S/C22H27N3O2/c1-18-7-5-11-20(17-18)24-13-15-25(16-14-24)22(27)21(26)23-12-6-10-19-8-3-2-4-9-19/h2-5,7-9,11,17H,6,10,12-16H2,1H3,(H,23,26)
InChIKeyBCWKIYMIVXQAOJ-UHFFFAOYSA-N
XLogP2.39
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamidoethyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108531247
1-[4-(3-methylphenyl)piperazin-1-yl]-3-(3-phenylpropylamino)propan-1-one
CID 109029267
2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-(3-phenylpropyl)acetamide
CID 108985750
N-(2-methoxyethyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108505043
N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-4-phenylbutanamide
CID 42175850
N-[2-(1H-indol-3-yl)ethyl]-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108531709
N'-[(3-methylphenyl)methyl]-N-(3-phenylpropyl)oxamide
CID 108984715
4-(3-acetylphenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110202
1-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-(2-phenylethyl)cyclopropane-1-carboxamide
CID 108977101
2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxo-N-(pyridin-2-ylmethyl)acetamide
CID 108518394
N-[2-(4-hydroxyphenyl)ethyl]-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
CID 108503201
N-(3-methylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108515725

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxo-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxo-N-(3-phenylpropyl)acetamide (CID 108986075) is 2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxo-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxo-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxo-N-(3-phenylpropyl)acetamide is Cc1cccc(N2CCN(C(=O)C(=O)NCCCc3ccccc3)CC2)c1.
What is the InChIKey of 2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxo-N-(3-phenylpropyl)acetamide?
The InChIKey is BCWKIYMIVXQAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-18-7-5-11-20(17-18)24-13-15-25(16-14-24)22(27)21(26)23-12-6-10-19-8-3-2-4-9-19/h2-5,7-9,11,17H,6,10,12-16H2,1H3,(H,23,26).
What are the key properties of 2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxo-N-(3-phenylpropyl)acetamide?
2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxo-N-(3-phenylpropyl)acetamide has a molecular weight of 365.48 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxo-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 108986075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).