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

C21H27N3O2 — CID 2439113

IUPAC2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(3-phenylpropyl)acetamide
SMILESO=C(CN1CCN(c2ccccc2O)CC1)NCCCc1ccccc1
InChIInChI=1S/C21H27N3O2/c25-20-11-5-4-10-19(20)24-15-13-23(14-16-24)17-21(26)22-12-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-11,25H,6,9,12-17H2,(H,22,26)
InChIKeyFKQODOLEWJJKSZ-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.26
Rot. Bonds7

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

2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(3-phenylpropyl)acetamide (PubChem CID 2439113) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(3-phenylpropyl)acetamide
PubChem CID2439113
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(3-phenylpropyl)acetamide
SMILESO=C(CN1CCN(c2ccccc2O)CC1)NCCCc1ccccc1
InChIInChI=1S/C21H27N3O2/c25-20-11-5-4-10-19(20)24-15-13-23(14-16-24)17-21(26)22-12-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-11,25H,6,9,12-17H2,(H,22,26)
InChIKeyFKQODOLEWJJKSZ-UHFFFAOYSA-N
XLogP2.26
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(3-phenylpropyl)acetamide (CID 2439113) is 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(3-phenylpropyl)acetamide is O=C(CN1CCN(c2ccccc2O)CC1)NCCCc1ccccc1.
What is the InChIKey of 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(3-phenylpropyl)acetamide?
The InChIKey is FKQODOLEWJJKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c25-20-11-5-4-10-19(20)24-15-13-23(14-16-24)17-21(26)22-12-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-11,25H,6,9,12-17H2,(H,22,26).
What are the key properties of 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(3-phenylpropyl)acetamide?
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(3-phenylpropyl)acetamide has a molecular weight of 353.47 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 2439113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).