[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[1-(3-nitrobenzoyl)piperidin-4-yl]methanone

C19H25N3O5 — CID 51942607

IUPAC[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[1-(3-nitrobenzoyl)piperidin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)C2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)C[C@@H](C)O1
InChIInChI=1S/C19H25N3O5/c1-13-11-21(12-14(2)27-13)18(23)15-6-8-20(9-7-15)19(24)16-4-3-5-17(10-16)22(25)26/h3-5,10,13-15H,6-9,11-12H2,1-2H3/t13-,14-/m1/s1
InChIKeyMJELTTUDHYBTCY-ZIAGYGMSSA-N
MW375.43 g/mol
LogP2.08
Rot. Bonds3

About [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[1-(3-nitrobenzoyl)piperidin-4-yl]methanone

[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[1-(3-nitrobenzoyl)piperidin-4-yl]methanone (PubChem CID 51942607) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[1-(3-nitrobenzoyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[1-(3-nitrobenzoyl)piperidin-4-yl]methanone
PubChem CID51942607
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC Name[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[1-(3-nitrobenzoyl)piperidin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)C2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)C[C@@H](C)O1
InChIInChI=1S/C19H25N3O5/c1-13-11-21(12-14(2)27-13)18(23)15-6-8-20(9-7-15)19(24)16-4-3-5-17(10-16)22(25)26/h3-5,10,13-15H,6-9,11-12H2,1-2H3/t13-,14-/m1/s1
InChIKeyMJELTTUDHYBTCY-ZIAGYGMSSA-N
XLogP2.08
TPSA92.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.08
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

[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-(3-nitrobenzoyl)piperidin-4-yl]methanone
CID 51942605
(2,6-dimethylmorpholin-4-yl)-(3-nitrophenyl)methanone
CID 2832217
(4-methylpiperidin-1-yl)-(3-nitrophenyl)methanone
CID 711512
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-nitrophenyl)methanone
CID 102934573
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3,5-dinitrophenyl)methanone
CID 2247674
[1-(2-bromo-4-nitrophenyl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 133310814
[1-(2,3-dihydro-1H-indene-5-carbonyl)piperidin-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 51942637
N-[(2R,6R)-2,6-dimethylmorpholine-4-carbothioyl]-3-nitrobenzamide
CID 2250350
(3,4-dihydroxypyrrolidin-1-yl)-(3-nitrophenyl)methanone
CID 106671637
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-3-nitrobenzamide
CID 27661299
tert-butyl 1-[4-(3-nitrobenzoyl)piperazin-1-yl]piperidine-4-carboxylate
CID 140984728
N-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-3-nitrobenzamide
CID 51147697

Frequently Asked Questions

What is the IUPAC name of [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[1-(3-nitrobenzoyl)piperidin-4-yl]methanone?
The IUPAC name of [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[1-(3-nitrobenzoyl)piperidin-4-yl]methanone (CID 51942607) is [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[1-(3-nitrobenzoyl)piperidin-4-yl]methanone.
What is the SMILES notation for [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[1-(3-nitrobenzoyl)piperidin-4-yl]methanone?
The canonical SMILES for [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[1-(3-nitrobenzoyl)piperidin-4-yl]methanone is C[C@@H]1CN(C(=O)C2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)C[C@@H](C)O1.
What is the InChIKey of [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[1-(3-nitrobenzoyl)piperidin-4-yl]methanone?
The InChIKey is MJELTTUDHYBTCY-ZIAGYGMSSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-13-11-21(12-14(2)27-13)18(23)15-6-8-20(9-7-15)19(24)16-4-3-5-17(10-16)22(25)26/h3-5,10,13-15H,6-9,11-12H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[1-(3-nitrobenzoyl)piperidin-4-yl]methanone?
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[1-(3-nitrobenzoyl)piperidin-4-yl]methanone has a molecular weight of 375.43 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[1-(3-nitrobenzoyl)piperidin-4-yl]methanone is sourced from PubChem (CID 51942607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).