2-morpholin-2-yl-1-[4-(3-nitrophenyl)piperazin-1-yl]ethanone

C16H22N4O4 — CID 119858383

IUPAC2-morpholin-2-yl-1-[4-(3-nitrophenyl)piperazin-1-yl]ethanone
SMILESO=C(CC1CNCCO1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1
InChIInChI=1S/C16H22N4O4/c21-16(11-15-12-17-4-9-24-15)19-7-5-18(6-8-19)13-2-1-3-14(10-13)20(22)23/h1-3,10,15,17H,4-9,11-12H2
InChIKeyAMSNYOBTGLOHLU-UHFFFAOYSA-N
MW334.38 g/mol
LogP0.62
Rot. Bonds4

About 2-morpholin-2-yl-1-[4-(3-nitrophenyl)piperazin-1-yl]ethanone

2-morpholin-2-yl-1-[4-(3-nitrophenyl)piperazin-1-yl]ethanone (PubChem CID 119858383) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-morpholin-2-yl-1-[4-(3-nitrophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-morpholin-2-yl-1-[4-(3-nitrophenyl)piperazin-1-yl]ethanone
PubChem CID119858383
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC Name2-morpholin-2-yl-1-[4-(3-nitrophenyl)piperazin-1-yl]ethanone
SMILESO=C(CC1CNCCO1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1
InChIInChI=1S/C16H22N4O4/c21-16(11-15-12-17-4-9-24-15)19-7-5-18(6-8-19)13-2-1-3-14(10-13)20(22)23/h1-3,10,15,17H,4-9,11-12H2
InChIKeyAMSNYOBTGLOHLU-UHFFFAOYSA-N
XLogP0.62
TPSA87.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 50.62
H-Bond Donors ≤ 51
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-[(2R)-morpholin-2-yl]-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 99936481
1-[4-(3-nitrophenyl)piperazin-1-yl]-2-piperidin-4-ylethanone
CID 119858368
1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[(2S)-morpholin-2-yl]ethanone
CID 97143351
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-morpholin-2-ylethanone
CID 119828406
2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(3-nitrophenyl)piperazin-1-yl]ethanone
CID 94179180
2-(methylamino)-1-[4-(3-nitrophenyl)piperazin-1-yl]ethanone
CID 61259786
[4-(3-nitrophenyl)piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
CID 119858316
2-(4-bromophenyl)-1-[4-(3-nitrophenyl)piperazin-1-yl]ethanone
CID 55742672
3-amino-1-[4-(3-nitrophenyl)piperazin-1-yl]butan-1-one
CID 61260337
1-(3-nitrophenyl)piperazine
CID 2760216
1-(3-nitrophenyl)piperazine;hydrochloride
CID 2760215
1-(azepan-1-yl)-2-morpholin-2-ylethanone
CID 66433560

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-2-yl-1-[4-(3-nitrophenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-morpholin-2-yl-1-[4-(3-nitrophenyl)piperazin-1-yl]ethanone (CID 119858383) is 2-morpholin-2-yl-1-[4-(3-nitrophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-morpholin-2-yl-1-[4-(3-nitrophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-morpholin-2-yl-1-[4-(3-nitrophenyl)piperazin-1-yl]ethanone is O=C(CC1CNCCO1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1.
What is the InChIKey of 2-morpholin-2-yl-1-[4-(3-nitrophenyl)piperazin-1-yl]ethanone?
The InChIKey is AMSNYOBTGLOHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4/c21-16(11-15-12-17-4-9-24-15)19-7-5-18(6-8-19)13-2-1-3-14(10-13)20(22)23/h1-3,10,15,17H,4-9,11-12H2.
What are the key properties of 2-morpholin-2-yl-1-[4-(3-nitrophenyl)piperazin-1-yl]ethanone?
2-morpholin-2-yl-1-[4-(3-nitrophenyl)piperazin-1-yl]ethanone has a molecular weight of 334.38 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-2-yl-1-[4-(3-nitrophenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 119858383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).