morpholin-4-yl-(3-nitro-4-piperidin-1-ylphenyl)methanone

C16H21N3O4 — CID 2924697

IUPACmorpholin-4-yl-(3-nitro-4-piperidin-1-ylphenyl)methanone
SMILESO=C(c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)N1CCOCC1
InChIInChI=1S/C16H21N3O4/c20-16(18-8-10-23-11-9-18)13-4-5-14(15(12-13)19(21)22)17-6-2-1-3-7-17/h4-5,12H,1-3,6-11H2
InChIKeyXNKMVVLDWWVAQR-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.06
Rot. Bonds3

About morpholin-4-yl-(3-nitro-4-piperidin-1-ylphenyl)methanone

morpholin-4-yl-(3-nitro-4-piperidin-1-ylphenyl)methanone (PubChem CID 2924697) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is morpholin-4-yl-(3-nitro-4-piperidin-1-ylphenyl)methanone.

Molecular Properties

Compound Namemorpholin-4-yl-(3-nitro-4-piperidin-1-ylphenyl)methanone
PubChem CID2924697
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Namemorpholin-4-yl-(3-nitro-4-piperidin-1-ylphenyl)methanone
SMILESO=C(c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)N1CCOCC1
InChIInChI=1S/C16H21N3O4/c20-16(18-8-10-23-11-9-18)13-4-5-14(15(12-13)19(21)22)17-6-2-1-3-7-17/h4-5,12H,1-3,6-11H2
InChIKeyXNKMVVLDWWVAQR-UHFFFAOYSA-N
XLogP2.06
TPSA75.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.06
H-Bond Donors ≤ 50
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

Morpholino(4-nitrophenyl)methanone
CID 220838
3-nitro-N-(2-piperidin-1-ylphenyl)benzamide
CID 960419
[4-(4-Methylpiperazin-1-yl)-3-nitrophenyl]-phenylmethanone
CID 2905641
[4-(3-Morpholin-4-yl-4-nitrophenyl)piperazin-1-yl]-phenylmethanone
CID 2919874
4-[2-Nitro-4-(1-piperidinylcarbonyl)phenyl]morpholine
CID 2935629
N-cyclohexyl-4-morpholin-4-yl-3-nitrobenzamide
CID 2960102
(2-Morpholin-4-yl-2-oxoethyl) 4-morpholin-4-yl-3-nitrobenzoate
CID 3447737
4-[Methyl-(1-methylpiperidin-4-yl)amino]-3-nitrobenzamide
CID 4969156
4-(4-Acetylpiperazin-1-yl)-3-nitrobenzamide
CID 4969162
N-cyclopropyl-3-nitro-4-piperidin-1-ylbenzamide
CID 16382685
(2-Fluorophenyl)-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazin-1-yl]methanone
CID 2889326
Morpholin-4-yl-(2-morpholin-4-yl-5-nitrophenyl)methanone
CID 2920052

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-(3-nitro-4-piperidin-1-ylphenyl)methanone?
The IUPAC name of morpholin-4-yl-(3-nitro-4-piperidin-1-ylphenyl)methanone (CID 2924697) is morpholin-4-yl-(3-nitro-4-piperidin-1-ylphenyl)methanone.
What is the SMILES notation for morpholin-4-yl-(3-nitro-4-piperidin-1-ylphenyl)methanone?
The canonical SMILES for morpholin-4-yl-(3-nitro-4-piperidin-1-ylphenyl)methanone is O=C(c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-(3-nitro-4-piperidin-1-ylphenyl)methanone?
The InChIKey is XNKMVVLDWWVAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c20-16(18-8-10-23-11-9-18)13-4-5-14(15(12-13)19(21)22)17-6-2-1-3-7-17/h4-5,12H,1-3,6-11H2.
What are the key properties of morpholin-4-yl-(3-nitro-4-piperidin-1-ylphenyl)methanone?
morpholin-4-yl-(3-nitro-4-piperidin-1-ylphenyl)methanone has a molecular weight of 319.36 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-(3-nitro-4-piperidin-1-ylphenyl)methanone is sourced from PubChem (CID 2924697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).