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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Related Compounds

6-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
CID 11191128
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 2653640
N-benzyl-4-(2-hydroxyphenyl)piperazine-1-carbothioamide
CID 714479
Tyr-D-Ala-Gly-NMePhe
CID 45483974
Glycinamide, N-[2-(4-hydroxyphenyl)ethyl]glycyl-N-[1,1'-biphenyl]-4-ylglycyl-N2-(2-phenylethyl)-(9CI)
CID 9872656
2-(4-Benzhydrylpiperazin-1-yl)phenol
CID 2406292
N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 2447572
(2E)-N-(2-hydroxyphenyl)-3-phenylprop-2-enamide
CID 5273475
2-(4-Benzylpiperazin-1-yl)phenol
CID 8529065
2-(4-Benzyl-piperidin-1-yl)-N-(4-hydroxy-phenyl)-2-oxo-acetamide
CID 10290921
N-[5-[2-(dipropylamino)ethyl]-2-hydroxyphenyl]formamide
CID 13846346
4-benzyl-N-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 68341722

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).