2-(4-hydroxyphenyl)-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone

C18H19N3O4 — CID 78806226

IUPAC2-(4-hydroxyphenyl)-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccc(O)cc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C18H19N3O4/c22-15-7-5-14(6-8-15)13-18(23)20-11-9-19(10-12-20)16-3-1-2-4-17(16)21(24)25/h1-8,22H,9-13H2
InChIKeyVSCQUYLBLFFEBD-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.19
Rot. Bonds4

About 2-(4-hydroxyphenyl)-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone

2-(4-hydroxyphenyl)-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone (PubChem CID 78806226) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone
PubChem CID78806226
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name2-(4-hydroxyphenyl)-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccc(O)cc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C18H19N3O4/c22-15-7-5-14(6-8-15)13-18(23)20-11-9-19(10-12-20)16-3-1-2-4-17(16)21(24)25/h1-8,22H,9-13H2
InChIKeyVSCQUYLBLFFEBD-UHFFFAOYSA-N
XLogP2.19
TPSA86.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenyl)-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone
CID 27825019
2-(3-methoxyphenyl)-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone
CID 4878382
1-[2-[4-(2-nitrophenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone
CID 60585036
2-(5-amino-2-pyridinyl)-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone
CID 120617310
2-(3,5-dimethylpyrazol-1-yl)-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone
CID 27007991
1-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]-2-(4-phenylphenyl)ethanone
CID 46478705
4-[2-[1-(2-nitrophenyl)piperidin-4-yl]ethyl]phenol
CID 47089481
1-[4-(2-nitrophenyl)piperazin-1-yl]-2-piperidin-4-ylethanone;hydrochloride
CID 119681356
10-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]acridin-9-one
CID 38505423
N,N-diethyl-4-[3-[4-(2-nitrophenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 27825980
[4-(aminomethyl)phenyl]-[4-(2-nitrophenyl)piperazin-1-yl]methanone;hydrochloride
CID 119266930
1-[4-(2-nitrophenyl)piperazin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone
CID 55543869

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-hydroxyphenyl)-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone (CID 78806226) is 2-(4-hydroxyphenyl)-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-hydroxyphenyl)-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-hydroxyphenyl)-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone is O=C(Cc1ccc(O)cc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1.
What is the InChIKey of 2-(4-hydroxyphenyl)-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone?
The InChIKey is VSCQUYLBLFFEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c22-15-7-5-14(6-8-15)13-18(23)20-11-9-19(10-12-20)16-3-1-2-4-17(16)21(24)25/h1-8,22H,9-13H2.
What are the key properties of 2-(4-hydroxyphenyl)-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone?
2-(4-hydroxyphenyl)-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone has a molecular weight of 341.37 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 78806226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).