(3-fluorophenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone;oxalic acid

C18H23FN2O6 — CID 2911305

IUPAC(3-fluorophenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone;oxalic acid
SMILESO=C(O)C(=O)O.O=C(c1cccc(F)c1)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C16H21FN2O2.C2H2O4/c17-14-3-1-2-13(12-14)16(20)19-6-4-15(5-7-19)18-8-10-21-11-9-18;3-1(4)2(5)6/h1-3,12,15H,4-11H2;(H,3,4)(H,5,6)
InChIKeyGACCXSFXHHUJEO-UHFFFAOYSA-N
MW382.39 g/mol
LogP0.92
Rot. Bonds2

About (3-fluorophenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone;oxalic acid

(3-fluorophenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone;oxalic acid (PubChem CID 2911305) has the molecular formula C18H23FN2O6 and a molecular weight of 382.39 g/mol. Its IUPAC name is (3-fluorophenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone;oxalic acid.

Molecular Properties

Compound Name(3-fluorophenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone;oxalic acid
PubChem CID2911305
Molecular FormulaC18H23FN2O6
Molecular Weight382.39 g/mol
Exact Mass382.15
IUPAC Name(3-fluorophenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone;oxalic acid
SMILESO=C(O)C(=O)O.O=C(c1cccc(F)c1)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C16H21FN2O2.C2H2O4/c17-14-3-1-2-13(12-14)16(20)19-6-4-15(5-7-19)18-8-10-21-11-9-18;3-1(4)2(5)6/h1-3,12,15H,4-11H2;(H,3,4)(H,5,6)
InChIKeyGACCXSFXHHUJEO-UHFFFAOYSA-N
XLogP0.92
TPSA107.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone;oxalic acid?
The IUPAC name of (3-fluorophenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone;oxalic acid (CID 2911305) is (3-fluorophenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone;oxalic acid.
What is the SMILES notation for (3-fluorophenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone;oxalic acid?
The canonical SMILES for (3-fluorophenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone;oxalic acid is O=C(O)C(=O)O.O=C(c1cccc(F)c1)N1CCC(N2CCOCC2)CC1.
What is the InChIKey of (3-fluorophenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone;oxalic acid?
The InChIKey is GACCXSFXHHUJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2.C2H2O4/c17-14-3-1-2-13(12-14)16(20)19-6-4-15(5-7-19)18-8-10-21-11-9-18;3-1(4)2(5)6/h1-3,12,15H,4-11H2;(H,3,4)(H,5,6).
What are the key properties of (3-fluorophenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone;oxalic acid?
(3-fluorophenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone;oxalic acid has a molecular weight of 382.39 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone;oxalic acid is sourced from PubChem (CID 2911305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).