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

C22H28N4O2 — CID 113110204

IUPAC4-(4-acetamidophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
SMILESCC(=O)Nc1ccc(N2CCN(C(=O)NCCCc3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N4O2/c1-18(27)24-20-9-11-21(12-10-20)25-14-16-26(17-15-25)22(28)23-13-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-12H,5,8,13-17H2,1H3,(H,23,28)(H,24,27)
InChIKeyZHDHEGQNEVTZIW-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.11
Rot. Bonds6

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

4-(4-acetamidophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide (PubChem CID 113110204) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-(4-acetamidophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-acetamidophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
PubChem CID113110204
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name4-(4-acetamidophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
SMILESCC(=O)Nc1ccc(N2CCN(C(=O)NCCCc3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N4O2/c1-18(27)24-20-9-11-21(12-10-20)25-14-16-26(17-15-25)22(28)23-13-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-12H,5,8,13-17H2,1H3,(H,23,28)(H,24,27)
InChIKeyZHDHEGQNEVTZIW-UHFFFAOYSA-N
XLogP3.11
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 84526356
N-(3-phenylpropyl)-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113110182
4-(3-acetylphenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110202
4-(3,4-dimethoxyphenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110199
N-(2-phenylethyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113108912
methyl 4-(3-phenylpropylcarbamoyl)piperazine-1-carboxylate
CID 118398412
4-(2-anilino-2-oxoethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 31065316
N-butyl-4-phenylpiperazine-1-carboxamide
CID 3547607
N'-[4-(4-methylpiperidin-1-yl)phenyl]-N-(3-phenylpropyl)oxamide
CID 108986246
N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]-N'-(2-phenylethyl)oxamide
CID 16891850
methyl 4-[4-(2-phenylethylcarbamoyl)piperazin-1-yl]benzoate
CID 113108908
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3-phenylpropylamino)propanamide
CID 109030984

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetamidophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-acetamidophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide (CID 113110204) is 4-(4-acetamidophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-acetamidophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-acetamidophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide is CC(=O)Nc1ccc(N2CCN(C(=O)NCCCc3ccccc3)CC2)cc1.
What is the InChIKey of 4-(4-acetamidophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide?
The InChIKey is ZHDHEGQNEVTZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-18(27)24-20-9-11-21(12-10-20)25-14-16-26(17-15-25)22(28)23-13-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-12H,5,8,13-17H2,1H3,(H,23,28)(H,24,27).
What are the key properties of 4-(4-acetamidophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide?
4-(4-acetamidophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetamidophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 113110204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).