2-(4-acetylpiperidin-1-yl)-1-morpholin-4-ylethanone

C13H22N2O3 — CID 58837124

IUPAC2-(4-acetylpiperidin-1-yl)-1-morpholin-4-ylethanone
SMILESCC(=O)C1CCN(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C13H22N2O3/c1-11(16)12-2-4-14(5-3-12)10-13(17)15-6-8-18-9-7-15/h12H,2-10H2,1H3
InChIKeyNJELHLMOFKBJDB-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.15
Rot. Bonds3

About 2-(4-acetylpiperidin-1-yl)-1-morpholin-4-ylethanone

2-(4-acetylpiperidin-1-yl)-1-morpholin-4-ylethanone (PubChem CID 58837124) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(4-acetylpiperidin-1-yl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(4-acetylpiperidin-1-yl)-1-morpholin-4-ylethanone
PubChem CID58837124
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-(4-acetylpiperidin-1-yl)-1-morpholin-4-ylethanone
SMILESCC(=O)C1CCN(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C13H22N2O3/c1-11(16)12-2-4-14(5-3-12)10-13(17)15-6-8-18-9-7-15/h12H,2-10H2,1H3
InChIKeyNJELHLMOFKBJDB-UHFFFAOYSA-N
XLogP0.15
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperidin-1-yl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(4-acetylpiperidin-1-yl)-1-morpholin-4-ylethanone (CID 58837124) is 2-(4-acetylpiperidin-1-yl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(4-acetylpiperidin-1-yl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(4-acetylpiperidin-1-yl)-1-morpholin-4-ylethanone is CC(=O)C1CCN(CC(=O)N2CCOCC2)CC1.
What is the InChIKey of 2-(4-acetylpiperidin-1-yl)-1-morpholin-4-ylethanone?
The InChIKey is NJELHLMOFKBJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-11(16)12-2-4-14(5-3-12)10-13(17)15-6-8-18-9-7-15/h12H,2-10H2,1H3.
What are the key properties of 2-(4-acetylpiperidin-1-yl)-1-morpholin-4-ylethanone?
2-(4-acetylpiperidin-1-yl)-1-morpholin-4-ylethanone has a molecular weight of 254.33 g/mol, XLogP of 0.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperidin-1-yl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 58837124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).