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

C20H25N3O2 — CID 8691104

IUPACN-(3-ethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
SMILESCCc1cccc(NC(=O)CN2CCN(c3ccc(O)cc3)CC2)c1
InChIInChI=1S/C20H25N3O2/c1-2-16-4-3-5-17(14-16)21-20(25)15-22-10-12-23(13-11-22)18-6-8-19(24)9-7-18/h3-9,14,24H,2,10-13,15H2,1H3,(H,21,25)
InChIKeyQIZMXORUGYAQNZ-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.72
Rot. Bonds5

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

N-(3-ethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide (PubChem CID 8691104) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
PubChem CID8691104
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-(3-ethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
SMILESCCc1cccc(NC(=O)CN2CCN(c3ccc(O)cc3)CC2)c1
InChIInChI=1S/C20H25N3O2/c1-2-16-4-3-5-17(14-16)21-20(25)15-22-10-12-23(13-11-22)18-6-8-19(24)9-7-18/h3-9,14,24H,2,10-13,15H2,1H3,(H,21,25)
InChIKeyQIZMXORUGYAQNZ-UHFFFAOYSA-N
XLogP2.72
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 8592549
N-(3-ethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 36846051
N-(3-chloro-4-methylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8690802
N-(3-ethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide
CID 119923733
N-(4-bromo-3-methylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8690820
N-(3-ethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 36854994
N-(3-ethylphenyl)-4-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-oxobutanamide
CID 131900461
1-[2-(3-ethylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63032214
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 6466210
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-ethylphenyl)acetamide
CID 9104917
2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(3-quinoxalin-2-ylphenyl)acetamide
CID 123722516
2-(3-aminopyrrolidin-1-yl)-N-(3-ethylphenyl)acetamide
CID 62067698

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(3-ethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide (CID 8691104) is N-(3-ethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-ethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide is CCc1cccc(NC(=O)CN2CCN(c3ccc(O)cc3)CC2)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide?
The InChIKey is QIZMXORUGYAQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-2-16-4-3-5-17(14-16)21-20(25)15-22-10-12-23(13-11-22)18-6-8-19(24)9-7-18/h3-9,14,24H,2,10-13,15H2,1H3,(H,21,25).
What are the key properties of N-(3-ethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide?
N-(3-ethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide has a molecular weight of 339.44 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 8691104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).