[4-(4-nitrobenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone

C18H16N4O6 — CID 3092238

IUPAC[4-(4-nitrobenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C18H16N4O6/c23-17(13-1-5-15(6-2-13)21(25)26)19-9-11-20(12-10-19)18(24)14-3-7-16(8-4-14)22(27)28/h1-8H,9-12H2
InChIKeyKZZNCJHPWZZHEZ-UHFFFAOYSA-N
MW384.35 g/mol
LogP2.10
Rot. Bonds4

About [4-(4-nitrobenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone

[4-(4-nitrobenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone (PubChem CID 3092238) has the molecular formula C18H16N4O6 and a molecular weight of 384.35 g/mol. Its IUPAC name is [4-(4-nitrobenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone.

Molecular Properties

Compound Name[4-(4-nitrobenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone
PubChem CID3092238
Molecular FormulaC18H16N4O6
Molecular Weight384.35 g/mol
Exact Mass384.11
IUPAC Name[4-(4-nitrobenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C18H16N4O6/c23-17(13-1-5-15(6-2-13)21(25)26)19-9-11-20(12-10-19)18(24)14-3-7-16(8-4-14)22(27)28/h1-8H,9-12H2
InChIKeyKZZNCJHPWZZHEZ-UHFFFAOYSA-N
XLogP2.10
TPSA126.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-methyl-1-[4-(4-nitrobenzoyl)piperazin-1-yl]propan-1-one
CID 51165773
[4-(4-methoxybenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 1147872
ethane;(4-methylsulfanylpiperazin-1-yl)-(4-nitrophenyl)methanone
CID 162359993
(4-aminopiperidin-1-yl)-(4-nitrophenyl)methanone
CID 25219406
[4-(2-fluorobenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 579725
[4-(3,5-dinitrobenzoyl)piperazin-1-yl]-(3,5-dinitrophenyl)methanone
CID 554389
(4-nitrophenyl)-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]methanone
CID 7027641
2-[4-(4-nitrobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 26999273
[4-(4-methylcyclohexyl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 787175
(4-chlorophenyl)-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]methanone
CID 43065648
(4-tert-butylphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 2866141
[4-(4-nitrobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119332740

Frequently Asked Questions

What is the IUPAC name of [4-(4-nitrobenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone?
The IUPAC name of [4-(4-nitrobenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone (CID 3092238) is [4-(4-nitrobenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone.
What is the SMILES notation for [4-(4-nitrobenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone?
The canonical SMILES for [4-(4-nitrobenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone is O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of [4-(4-nitrobenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone?
The InChIKey is KZZNCJHPWZZHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O6/c23-17(13-1-5-15(6-2-13)21(25)26)19-9-11-20(12-10-19)18(24)14-3-7-16(8-4-14)22(27)28/h1-8H,9-12H2.
What are the key properties of [4-(4-nitrobenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone?
[4-(4-nitrobenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone has a molecular weight of 384.35 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-nitrobenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone is sourced from PubChem (CID 3092238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).