2-[4-(4-nitrophenyl)piperazin-1-yl]-N-(2-phenoxyphenyl)acetamide

C24H24N4O4 — CID 27173357

IUPAC2-[4-(4-nitrophenyl)piperazin-1-yl]-N-(2-phenoxyphenyl)acetamide
SMILESO=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C24H24N4O4/c29-24(25-22-8-4-5-9-23(22)32-21-6-2-1-3-7-21)18-26-14-16-27(17-15-26)19-10-12-20(13-11-19)28(30)31/h1-13H,14-18H2,(H,25,29)
InChIKeyJIMFCTHTNHGZHG-UHFFFAOYSA-N
MW432.48 g/mol
LogP4.15
Rot. Bonds7

About 2-[4-(4-nitrophenyl)piperazin-1-yl]-N-(2-phenoxyphenyl)acetamide

2-[4-(4-nitrophenyl)piperazin-1-yl]-N-(2-phenoxyphenyl)acetamide (PubChem CID 27173357) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is 2-[4-(4-nitrophenyl)piperazin-1-yl]-N-(2-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-nitrophenyl)piperazin-1-yl]-N-(2-phenoxyphenyl)acetamide
PubChem CID27173357
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name2-[4-(4-nitrophenyl)piperazin-1-yl]-N-(2-phenoxyphenyl)acetamide
SMILESO=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C24H24N4O4/c29-24(25-22-8-4-5-9-23(22)32-21-6-2-1-3-7-21)18-26-14-16-27(17-15-26)19-10-12-20(13-11-19)28(30)31/h1-13H,14-18H2,(H,25,29)
InChIKeyJIMFCTHTNHGZHG-UHFFFAOYSA-N
XLogP4.15
TPSA87.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxy-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 8688749
N-(2,4-difluorophenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 4818651
N-(2-bromophenyl)-2-[[2-[4-(4-nitrophenyl)piperazin-1-yl]acetyl]amino]acetamide
CID 46614305
1-(4-nitrophenyl)-N-(2-phenoxyphenyl)cyclopropane-1-carboxamide
CID 100789159
ethyl 4-[2-oxo-2-(2-phenoxyanilino)ethyl]piperazine-1-carboxylate
CID 8932102
2-[4-(4-nitrophenyl)piperazin-1-yl]acetic acid
CID 43397285
N-(2-chloro-5-nitrophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 2082970
N-(2-bromo-4-methylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 5038934
N-ethyl-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 36727936
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide
CID 3212835
N-cyclopropyl-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 22198597
N-(2-phenoxyphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide
CID 9451718

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-nitrophenyl)piperazin-1-yl]-N-(2-phenoxyphenyl)acetamide?
The IUPAC name of 2-[4-(4-nitrophenyl)piperazin-1-yl]-N-(2-phenoxyphenyl)acetamide (CID 27173357) is 2-[4-(4-nitrophenyl)piperazin-1-yl]-N-(2-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(4-nitrophenyl)piperazin-1-yl]-N-(2-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(4-nitrophenyl)piperazin-1-yl]-N-(2-phenoxyphenyl)acetamide is O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of 2-[4-(4-nitrophenyl)piperazin-1-yl]-N-(2-phenoxyphenyl)acetamide?
The InChIKey is JIMFCTHTNHGZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c29-24(25-22-8-4-5-9-23(22)32-21-6-2-1-3-7-21)18-26-14-16-27(17-15-26)19-10-12-20(13-11-19)28(30)31/h1-13H,14-18H2,(H,25,29).
What are the key properties of 2-[4-(4-nitrophenyl)piperazin-1-yl]-N-(2-phenoxyphenyl)acetamide?
2-[4-(4-nitrophenyl)piperazin-1-yl]-N-(2-phenoxyphenyl)acetamide has a molecular weight of 432.48 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-nitrophenyl)piperazin-1-yl]-N-(2-phenoxyphenyl)acetamide is sourced from PubChem (CID 27173357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).