4-(3-acetylphenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide

C22H27N3O2 — CID 113110202

IUPAC4-(3-acetylphenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
SMILESCC(=O)c1cccc(N2CCN(C(=O)NCCCc3ccccc3)CC2)c1
InChIInChI=1S/C22H27N3O2/c1-18(26)20-10-5-11-21(17-20)24-13-15-25(16-14-24)22(27)23-12-6-9-19-7-3-2-4-8-19/h2-5,7-8,10-11,17H,6,9,12-16H2,1H3,(H,23,27)
InChIKeyGYJULFVPCOYNOQ-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.35
Rot. Bonds6

About 4-(3-acetylphenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide

4-(3-acetylphenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide (PubChem CID 113110202) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 4-(3-acetylphenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-acetylphenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
PubChem CID113110202
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name4-(3-acetylphenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
SMILESCC(=O)c1cccc(N2CCN(C(=O)NCCCc3ccccc3)CC2)c1
InChIInChI=1S/C22H27N3O2/c1-18(26)20-10-5-11-21(17-20)24-13-15-25(16-14-24)22(27)23-12-6-9-19-7-3-2-4-8-19/h2-5,7-8,10-11,17H,6,9,12-16H2,1H3,(H,23,27)
InChIKeyGYJULFVPCOYNOQ-UHFFFAOYSA-N
XLogP3.35
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.35
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

4-(4-acetamidophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110204
4-(3,4-dimethoxyphenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110199
4-(4-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 84526356
N-(3-phenylpropyl)-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113110182
2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxo-N-(3-phenylpropyl)acetamide
CID 108986075
methyl 3-[4-(butylcarbamoyl)piperazin-1-yl]benzoate
CID 113103909
methyl 4-(3-phenylpropylcarbamoyl)piperazine-1-carboxylate
CID 118398412
N-butyl-4-phenylpiperazine-1-carboxamide
CID 3547607
4-(3,5-dimethylphenyl)-N-(2-phenylethyl)piperazine-1-carboxamide
CID 113108874
5-(4-acetylpiperazin-1-yl)-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 109231191
4-(3-acetamidophenyl)-N-butylpiperazine-1-carboxamide
CID 113103906
4-formyl-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 108988593

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetylphenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-acetylphenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide (CID 113110202) is 4-(3-acetylphenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-acetylphenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-acetylphenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide is CC(=O)c1cccc(N2CCN(C(=O)NCCCc3ccccc3)CC2)c1.
What is the InChIKey of 4-(3-acetylphenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide?
The InChIKey is GYJULFVPCOYNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-18(26)20-10-5-11-21(17-20)24-13-15-25(16-14-24)22(27)23-12-6-9-19-7-3-2-4-8-19/h2-5,7-8,10-11,17H,6,9,12-16H2,1H3,(H,23,27).
What are the key properties of 4-(3-acetylphenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide?
4-(3-acetylphenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetylphenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 113110202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).