(2,6-dimethylmorpholin-4-yl)-[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]methanone

C19H26FN3O5 — CID 133373817

IUPAC(2,6-dimethylmorpholin-4-yl)-[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]methanone
SMILESCOc1cc(N2CCC(C(=O)N3CC(C)OC(C)C3)CC2)c([N+](=O)[O-])cc1F
InChIInChI=1S/C19H26FN3O5/c1-12-10-22(11-13(2)28-12)19(24)14-4-6-21(7-5-14)16-9-18(27-3)15(20)8-17(16)23(25)26/h8-9,12-14H,4-7,10-11H2,1-3H3
InChIKeyFLKQDLCKNMZYQR-UHFFFAOYSA-N
MW395.43 g/mol
LogP2.59
Rot. Bonds4

About (2,6-dimethylmorpholin-4-yl)-[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]methanone

(2,6-dimethylmorpholin-4-yl)-[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]methanone (PubChem CID 133373817) has the molecular formula C19H26FN3O5 and a molecular weight of 395.43 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]methanone
PubChem CID133373817
Molecular FormulaC19H26FN3O5
Molecular Weight395.43 g/mol
Exact Mass395.19
IUPAC Name(2,6-dimethylmorpholin-4-yl)-[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]methanone
SMILESCOc1cc(N2CCC(C(=O)N3CC(C)OC(C)C3)CC2)c([N+](=O)[O-])cc1F
InChIInChI=1S/C19H26FN3O5/c1-12-10-22(11-13(2)28-12)19(24)14-4-6-21(7-5-14)16-9-18(27-3)15(20)8-17(16)23(25)26/h8-9,12-14H,4-7,10-11H2,1-3H3
InChIKeyFLKQDLCKNMZYQR-UHFFFAOYSA-N
XLogP2.59
TPSA85.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 52.59
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

4-[[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]methyl]-2,6-dimethylmorpholine
CID 133447843
1-(4-fluoro-5-methoxy-2-nitrophenyl)-N-phenylpiperidine-4-carboxamide
CID 133373091
[4-(4-fluoro-5-methoxy-2-nitrophenyl)piperazin-1-yl]-(2-methylcyclopropyl)methanone
CID 71970970
1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-amine
CID 63598851
(4-chlorophenyl)-[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]methanone
CID 133360025
1-(4-fluoro-5-methoxy-2-nitrophenyl)-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 133360652
1-(4-fluoro-5-methoxy-2-nitrophenyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 133359780
1-[4-(4-fluoro-5-methoxy-2-nitrophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 133373587
1-[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]-N-methylmethanamine
CID 63597808
[1-(2-bromo-4-nitrophenyl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 133310814
1-[1-(4-fluoro-5-methoxy-2-nitrophenyl)pyrrolidin-3-yl]ethanamine
CID 103976874
N-ethyl-1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidine-3-carboxamide
CID 133360505

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]methanone (CID 133373817) is (2,6-dimethylmorpholin-4-yl)-[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]methanone is COc1cc(N2CCC(C(=O)N3CC(C)OC(C)C3)CC2)c([N+](=O)[O-])cc1F.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]methanone?
The InChIKey is FLKQDLCKNMZYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O5/c1-12-10-22(11-13(2)28-12)19(24)14-4-6-21(7-5-14)16-9-18(27-3)15(20)8-17(16)23(25)26/h8-9,12-14H,4-7,10-11H2,1-3H3.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]methanone?
(2,6-dimethylmorpholin-4-yl)-[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]methanone has a molecular weight of 395.43 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]methanone is sourced from PubChem (CID 133373817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).