morpholin-4-yl-[(3R)-1-(3-nitro-2-pyridinyl)piperidin-3-yl]methanone

C15H20N4O4 — CID 51532486

IUPACmorpholin-4-yl-[(3R)-1-(3-nitro-2-pyridinyl)piperidin-3-yl]methanone
SMILESO=C([C@@H]1CCCN(c2ncccc2[N+](=O)[O-])C1)N1CCOCC1
InChIInChI=1S/C15H20N4O4/c20-15(17-7-9-23-10-8-17)12-3-2-6-18(11-12)14-13(19(21)22)4-1-5-16-14/h1,4-5,12H,2-3,6-11H2/t12-/m1/s1
InChIKeyXJFZSVIUVLSVGP-GFCCVEGCSA-N
MW320.35 g/mol
LogP1.07
Rot. Bonds3

About morpholin-4-yl-[(3R)-1-(3-nitro-2-pyridinyl)piperidin-3-yl]methanone

morpholin-4-yl-[(3R)-1-(3-nitro-2-pyridinyl)piperidin-3-yl]methanone (PubChem CID 51532486) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is morpholin-4-yl-[(3R)-1-(3-nitro-2-pyridinyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[(3R)-1-(3-nitro-2-pyridinyl)piperidin-3-yl]methanone
PubChem CID51532486
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC Namemorpholin-4-yl-[(3R)-1-(3-nitro-2-pyridinyl)piperidin-3-yl]methanone
SMILESO=C([C@@H]1CCCN(c2ncccc2[N+](=O)[O-])C1)N1CCOCC1
InChIInChI=1S/C15H20N4O4/c20-15(17-7-9-23-10-8-17)12-3-2-6-18(11-12)14-13(19(21)22)4-1-5-16-14/h1,4-5,12H,2-3,6-11H2/t12-/m1/s1
InChIKeyXJFZSVIUVLSVGP-GFCCVEGCSA-N
XLogP1.07
TPSA88.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.07
H-Bond Donors ≤ 50
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

morpholin-4-yl-[1-(8-nitroisoquinolin-5-yl)piperidin-3-yl]methanone
CID 18142982
[1-(4-chloro-2-nitrophenyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 134051230
3-[3-(morpholine-4-carbonyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 155974260
2-[1-(3-nitro-2-pyridinyl)piperidin-3-yl]ethanol
CID 55064569
[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 155976019
1-(3-nitro-2-pyridinyl)-N-phenylpiperidin-3-amine
CID 133363140
morpholin-4-yl-[1-(2-nitrophenyl)pyrrolidin-2-yl]methanone
CID 56789582
[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
CID 163343452
2-(3-ethoxypiperidin-1-yl)-3-nitropyridine
CID 133274264
[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 155975861
[(3R)-1-benzo[g]quinazolin-4-ylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 97018091
morpholin-4-yl-[1-(4-pyridin-3-ylpyrimidin-2-yl)piperidin-3-yl]methanone
CID 72847566

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[(3R)-1-(3-nitro-2-pyridinyl)piperidin-3-yl]methanone?
The IUPAC name of morpholin-4-yl-[(3R)-1-(3-nitro-2-pyridinyl)piperidin-3-yl]methanone (CID 51532486) is morpholin-4-yl-[(3R)-1-(3-nitro-2-pyridinyl)piperidin-3-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[(3R)-1-(3-nitro-2-pyridinyl)piperidin-3-yl]methanone?
The canonical SMILES for morpholin-4-yl-[(3R)-1-(3-nitro-2-pyridinyl)piperidin-3-yl]methanone is O=C([C@@H]1CCCN(c2ncccc2[N+](=O)[O-])C1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[(3R)-1-(3-nitro-2-pyridinyl)piperidin-3-yl]methanone?
The InChIKey is XJFZSVIUVLSVGP-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N4O4/c20-15(17-7-9-23-10-8-17)12-3-2-6-18(11-12)14-13(19(21)22)4-1-5-16-14/h1,4-5,12H,2-3,6-11H2/t12-/m1/s1.
What are the key properties of morpholin-4-yl-[(3R)-1-(3-nitro-2-pyridinyl)piperidin-3-yl]methanone?
morpholin-4-yl-[(3R)-1-(3-nitro-2-pyridinyl)piperidin-3-yl]methanone has a molecular weight of 320.35 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[(3R)-1-(3-nitro-2-pyridinyl)piperidin-3-yl]methanone is sourced from PubChem (CID 51532486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).