(4-morpholin-4-ylpyridin-1-ium-1-yl)-piperidin-1-ylmethanone

C15H22N3O2+ — CID 131841976

IUPAC(4-morpholin-4-ylpyridin-1-ium-1-yl)-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)[n+]1ccc(N2CCOCC2)cc1
InChIInChI=1S/C15H22N3O2/c19-15(17-6-2-1-3-7-17)18-8-4-14(5-9-18)16-10-12-20-13-11-16/h4-5,8-9H,1-3,6-7,10-13H2/q+1
InChIKeyCRXTYABSHLDWCV-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.26
Rot. Bonds1

About (4-morpholin-4-ylpyridin-1-ium-1-yl)-piperidin-1-ylmethanone

(4-morpholin-4-ylpyridin-1-ium-1-yl)-piperidin-1-ylmethanone (PubChem CID 131841976) has the molecular formula C15H22N3O2+ and a molecular weight of 276.36 g/mol. Its IUPAC name is (4-morpholin-4-ylpyridin-1-ium-1-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(4-morpholin-4-ylpyridin-1-ium-1-yl)-piperidin-1-ylmethanone
PubChem CID131841976
Molecular FormulaC15H22N3O2+
Molecular Weight276.36 g/mol
Exact Mass276.17
IUPAC Name(4-morpholin-4-ylpyridin-1-ium-1-yl)-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)[n+]1ccc(N2CCOCC2)cc1
InChIInChI=1S/C15H22N3O2/c19-15(17-6-2-1-3-7-17)18-8-4-14(5-9-18)16-10-12-20-13-11-16/h4-5,8-9H,1-3,6-7,10-13H2/q+1
InChIKeyCRXTYABSHLDWCV-UHFFFAOYSA-N
XLogP1.26
TPSA36.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_het_A(9)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-morpholin-4-ylpyridin-1-ium-1-yl)-piperidin-1-ylmethanone?
The IUPAC name of (4-morpholin-4-ylpyridin-1-ium-1-yl)-piperidin-1-ylmethanone (CID 131841976) is (4-morpholin-4-ylpyridin-1-ium-1-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (4-morpholin-4-ylpyridin-1-ium-1-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (4-morpholin-4-ylpyridin-1-ium-1-yl)-piperidin-1-ylmethanone is O=C(N1CCCCC1)[n+]1ccc(N2CCOCC2)cc1.
What is the InChIKey of (4-morpholin-4-ylpyridin-1-ium-1-yl)-piperidin-1-ylmethanone?
The InChIKey is CRXTYABSHLDWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N3O2/c19-15(17-6-2-1-3-7-17)18-8-4-14(5-9-18)16-10-12-20-13-11-16/h4-5,8-9H,1-3,6-7,10-13H2/q+1.
What are the key properties of (4-morpholin-4-ylpyridin-1-ium-1-yl)-piperidin-1-ylmethanone?
(4-morpholin-4-ylpyridin-1-ium-1-yl)-piperidin-1-ylmethanone has a molecular weight of 276.36 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-morpholin-4-ylpyridin-1-ium-1-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 131841976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).