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

C15H20N4O4 — CID 3136316

IUPACmorpholin-4-yl-[4-(4-nitrophenyl)piperazin-1-yl]methanone
SMILESO=C(N1CCOCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C15H20N4O4/c20-15(18-9-11-23-12-10-18)17-7-5-16(6-8-17)13-1-3-14(4-2-13)19(21)22/h1-4H,5-12H2
InChIKeyQBXDVYMXHRSGQQ-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.17
Rot. Bonds2

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

morpholin-4-yl-[4-(4-nitrophenyl)piperazin-1-yl]methanone (PubChem CID 3136316) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is morpholin-4-yl-[4-(4-nitrophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[4-(4-nitrophenyl)piperazin-1-yl]methanone
PubChem CID3136316
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC Namemorpholin-4-yl-[4-(4-nitrophenyl)piperazin-1-yl]methanone
SMILESO=C(N1CCOCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C15H20N4O4/c20-15(18-9-11-23-12-10-18)17-7-5-16(6-8-17)13-1-3-14(4-2-13)19(21)22/h1-4H,5-12H2
InChIKeyQBXDVYMXHRSGQQ-UHFFFAOYSA-N
XLogP1.17
TPSA79.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[4-(4-nitrophenyl)piperazin-1-yl]methanone?
The IUPAC name of morpholin-4-yl-[4-(4-nitrophenyl)piperazin-1-yl]methanone (CID 3136316) is morpholin-4-yl-[4-(4-nitrophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[4-(4-nitrophenyl)piperazin-1-yl]methanone?
The canonical SMILES for morpholin-4-yl-[4-(4-nitrophenyl)piperazin-1-yl]methanone is O=C(N1CCOCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of morpholin-4-yl-[4-(4-nitrophenyl)piperazin-1-yl]methanone?
The InChIKey is QBXDVYMXHRSGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4/c20-15(18-9-11-23-12-10-18)17-7-5-16(6-8-17)13-1-3-14(4-2-13)19(21)22/h1-4H,5-12H2.
What are the key properties of morpholin-4-yl-[4-(4-nitrophenyl)piperazin-1-yl]methanone?
morpholin-4-yl-[4-(4-nitrophenyl)piperazin-1-yl]methanone has a molecular weight of 320.35 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[4-(4-nitrophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 3136316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).