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

C16H22N4O4 — CID 2866550

IUPAC2-morpholin-4-yl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCOCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C16H22N4O4/c21-16(13-17-9-11-24-12-10-17)19-7-5-18(6-8-19)14-1-3-15(4-2-14)20(22)23/h1-4H,5-13H2
InChIKeyCGUAXRBXSAIPLY-UHFFFAOYSA-N
MW334.38 g/mol
LogP0.58
Rot. Bonds4

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

2-morpholin-4-yl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone (PubChem CID 2866550) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-morpholin-4-yl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-morpholin-4-yl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone
PubChem CID2866550
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC Name2-morpholin-4-yl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCOCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C16H22N4O4/c21-16(13-17-9-11-24-12-10-17)19-7-5-18(6-8-19)14-1-3-15(4-2-14)20(22)23/h1-4H,5-13H2
InChIKeyCGUAXRBXSAIPLY-UHFFFAOYSA-N
XLogP0.58
TPSA79.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 50.58
H-Bond Donors ≤ 50
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

4-(4-Nitrophenyl)morpholine
CID 25222
1,4-Dimethyl-6-(4-morpholinyl)-7-nitro-1,4-dihydro-2,3-quinoxalinedione
CID 2992790
2-Morpholin-4-yl-N-(4-nitro-phenyl)-acetamide
CID 2837466
2-morpholin-4-yl-N-(3-nitrophenyl)acetamide
CID 687269
1-Acetyl-4-(4-nitrophenyl)piperazine
CID 2865149
Morpholin-4-yl[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 3136316
2-[4-(4-Chloro-2-nitrophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 2867573
2-[(4-fluoro-3-nitrophenyl)amino]-N-[4-(morpholin-4-yl)phenyl]acetamide
CID 9099810
1-(Methoxyacetyl)-4-(4-nitrophenyl)piperazine
CID 2907489
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
N-[4-(4-cyclobutylpiperazin-1-yl)phenyl]-2-morpholin-4-ylacetamide
CID 155543125
2-Methyl-3-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethoxy]pyran-4-one
CID 162660664

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-morpholin-4-yl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone (CID 2866550) is 2-morpholin-4-yl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-morpholin-4-yl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-morpholin-4-yl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone is O=C(CN1CCOCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of 2-morpholin-4-yl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone?
The InChIKey is CGUAXRBXSAIPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4/c21-16(13-17-9-11-24-12-10-17)19-7-5-18(6-8-19)14-1-3-15(4-2-14)20(22)23/h1-4H,5-13H2.
What are the key properties of 2-morpholin-4-yl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone?
2-morpholin-4-yl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone has a molecular weight of 334.38 g/mol, XLogP of 0.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 2866550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).