N-hydroxy-5-nitro-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]benzamide

C20H22N4O4 — CID 73084633

IUPACN-hydroxy-5-nitro-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]benzamide
SMILESO=C(NO)c1cc([N+](=O)[O-])ccc1N1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C20H22N4O4/c25-20(21-26)18-15-17(24(27)28)8-9-19(18)23-13-11-22(12-14-23)10-4-7-16-5-2-1-3-6-16/h1-9,15,26H,10-14H2,(H,21,25)
InChIKeyNQKOKONQMJNACO-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.55
Rot. Bonds6

About N-hydroxy-5-nitro-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]benzamide

N-hydroxy-5-nitro-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]benzamide (PubChem CID 73084633) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-hydroxy-5-nitro-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]benzamide.

Molecular Properties

Compound NameN-hydroxy-5-nitro-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]benzamide
PubChem CID73084633
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC NameN-hydroxy-5-nitro-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]benzamide
SMILESO=C(NO)c1cc([N+](=O)[O-])ccc1N1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C20H22N4O4/c25-20(21-26)18-15-17(24(27)28)8-9-19(18)23-13-11-22(12-14-23)10-4-7-16-5-2-1-3-6-16/h1-9,15,26H,10-14H2,(H,21,25)
InChIKeyNQKOKONQMJNACO-UHFFFAOYSA-N
XLogP2.55
TPSA98.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', '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

5-nitro-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]benzonitrile
CID 6066961
(2,4-dinitrophenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 2839626
(3-nitrophenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 1376889
2-(4-benzoylpiperazin-1-yl)-N-methyl-5-nitrobenzamide
CID 87020739
N'-benzoyl-5-nitro-2-pyrrolidin-1-ylbenzohydrazide
CID 9279009
ethane;N-methyl-2-(4-methylpiperazin-1-yl)-5-nitrobenzamide
CID 145134608
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-methyl-5-nitrobenzamide
CID 87020700
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-methyl-5-nitrobenzamide
CID 87020776
oxalic acid;1-phenyl-4-(3-phenylprop-2-enyl)piperazine
CID 171151210
methyl 2-(4-ethylpiperazin-1-yl)-5-nitrobenzoate
CID 3137785
N'-methyl-5-nitro-N'-phenyl-2-pyrrolidin-1-ylbenzohydrazide
CID 9303539
(4-phenylpiperazin-1-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 108989523

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-5-nitro-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]benzamide?
The IUPAC name of N-hydroxy-5-nitro-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]benzamide (CID 73084633) is N-hydroxy-5-nitro-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]benzamide.
What is the SMILES notation for N-hydroxy-5-nitro-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]benzamide?
The canonical SMILES for N-hydroxy-5-nitro-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]benzamide is O=C(NO)c1cc([N+](=O)[O-])ccc1N1CCN(CC=Cc2ccccc2)CC1.
What is the InChIKey of N-hydroxy-5-nitro-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]benzamide?
The InChIKey is NQKOKONQMJNACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c25-20(21-26)18-15-17(24(27)28)8-9-19(18)23-13-11-22(12-14-23)10-4-7-16-5-2-1-3-6-16/h1-9,15,26H,10-14H2,(H,21,25).
What are the key properties of N-hydroxy-5-nitro-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]benzamide?
N-hydroxy-5-nitro-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]benzamide has a molecular weight of 382.42 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-nitro-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]benzamide is sourced from PubChem (CID 73084633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).