4-(3-nitro-4-piperidin-1-ylbenzoyl)piperazin-2-one

C16H20N4O4 — CID 4883131

IUPAC4-(3-nitro-4-piperidin-1-ylbenzoyl)piperazin-2-one
SMILESO=C1CN(C(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCN1
InChIInChI=1S/C16H20N4O4/c21-15-11-19(9-6-17-15)16(22)12-4-5-13(14(10-12)20(23)24)18-7-2-1-3-8-18/h4-5,10H,1-3,6-9,11H2,(H,17,21)
InChIKeyMLOJLTBBOYURBI-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.16
Rot. Bonds3

About 4-(3-nitro-4-piperidin-1-ylbenzoyl)piperazin-2-one

4-(3-nitro-4-piperidin-1-ylbenzoyl)piperazin-2-one (PubChem CID 4883131) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is 4-(3-nitro-4-piperidin-1-ylbenzoyl)piperazin-2-one.

Molecular Properties

Compound Name4-(3-nitro-4-piperidin-1-ylbenzoyl)piperazin-2-one
PubChem CID4883131
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Name4-(3-nitro-4-piperidin-1-ylbenzoyl)piperazin-2-one
SMILESO=C1CN(C(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCN1
InChIInChI=1S/C16H20N4O4/c21-15-11-19(9-6-17-15)16(22)12-4-5-13(14(10-12)20(23)24)18-7-2-1-3-8-18/h4-5,10H,1-3,6-9,11H2,(H,17,21)
InChIKeyMLOJLTBBOYURBI-UHFFFAOYSA-N
XLogP1.16
TPSA95.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.16
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

4-(4-fluoro-3-nitrobenzoyl)piperazin-2-one
CID 43215729
4-(4-methyl-3-nitrobenzoyl)-1,4-diazepan-2-one
CID 62896484
(7S)-1-(3-nitro-4-pyrrolidin-1-ylbenzoyl)-7-phenyl-1,4-diazepan-5-one
CID 94134262
4-(3-methoxy-4-nitrobenzoyl)piperazin-2-one
CID 115602215
4-(3-hydrazinyl-4-nitrobenzoyl)piperazin-2-one
CID 62681618
[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]-(3-nitro-4-piperidin-1-ylphenyl)methanone
CID 3661384
[4-(4-fluorophenyl)piperazin-1-yl]-(3-nitro-4-piperidin-1-ylphenyl)methanone
CID 7494443
[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]-piperidin-1-ylmethanone
CID 17431581
[4-(azepan-1-yl)-3-nitrophenyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 8779380
[4-(2-chloro-6-nitrophenyl)piperazin-1-yl]-(3-nitro-4-piperidin-1-ylphenyl)methanone
CID 4000572
1-(3-nitro-4-pyrrolidin-1-ylbenzoyl)piperidine-4-carboxamide
CID 4845441
3,9-diazabicyclo[4.2.1]nonan-3-yl-(3-nitro-4-pyrrolidin-1-ylphenyl)methanone
CID 119636296

Frequently Asked Questions

What is the IUPAC name of 4-(3-nitro-4-piperidin-1-ylbenzoyl)piperazin-2-one?
The IUPAC name of 4-(3-nitro-4-piperidin-1-ylbenzoyl)piperazin-2-one (CID 4883131) is 4-(3-nitro-4-piperidin-1-ylbenzoyl)piperazin-2-one.
What is the SMILES notation for 4-(3-nitro-4-piperidin-1-ylbenzoyl)piperazin-2-one?
The canonical SMILES for 4-(3-nitro-4-piperidin-1-ylbenzoyl)piperazin-2-one is O=C1CN(C(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCN1.
What is the InChIKey of 4-(3-nitro-4-piperidin-1-ylbenzoyl)piperazin-2-one?
The InChIKey is MLOJLTBBOYURBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c21-15-11-19(9-6-17-15)16(22)12-4-5-13(14(10-12)20(23)24)18-7-2-1-3-8-18/h4-5,10H,1-3,6-9,11H2,(H,17,21).
What are the key properties of 4-(3-nitro-4-piperidin-1-ylbenzoyl)piperazin-2-one?
4-(3-nitro-4-piperidin-1-ylbenzoyl)piperazin-2-one has a molecular weight of 332.36 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-nitro-4-piperidin-1-ylbenzoyl)piperazin-2-one is sourced from PubChem (CID 4883131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).