(5-ethyl-2-methylmorpholin-4-yl)-piperidin-1-ylmethanone

C13H24N2O2 — CID 113222014

IUPAC(5-ethyl-2-methylmorpholin-4-yl)-piperidin-1-ylmethanone
SMILESCCC1COC(C)CN1C(=O)N1CCCCC1
InChIInChI=1S/C13H24N2O2/c1-3-12-10-17-11(2)9-15(12)13(16)14-7-5-4-6-8-14/h11-12H,3-10H2,1-2H3
InChIKeyVRNSLQSTRNJELC-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.09
Rot. Bonds1

About (5-ethyl-2-methylmorpholin-4-yl)-piperidin-1-ylmethanone

(5-ethyl-2-methylmorpholin-4-yl)-piperidin-1-ylmethanone (PubChem CID 113222014) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (5-ethyl-2-methylmorpholin-4-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(5-ethyl-2-methylmorpholin-4-yl)-piperidin-1-ylmethanone
PubChem CID113222014
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(5-ethyl-2-methylmorpholin-4-yl)-piperidin-1-ylmethanone
SMILESCCC1COC(C)CN1C(=O)N1CCCCC1
InChIInChI=1S/C13H24N2O2/c1-3-12-10-17-11(2)9-15(12)13(16)14-7-5-4-6-8-14/h11-12H,3-10H2,1-2H3
InChIKeyVRNSLQSTRNJELC-UHFFFAOYSA-N
XLogP2.09
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-ethyl-2-methylmorpholin-4-yl)-piperidin-1-ylmethanone?
The IUPAC name of (5-ethyl-2-methylmorpholin-4-yl)-piperidin-1-ylmethanone (CID 113222014) is (5-ethyl-2-methylmorpholin-4-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (5-ethyl-2-methylmorpholin-4-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (5-ethyl-2-methylmorpholin-4-yl)-piperidin-1-ylmethanone is CCC1COC(C)CN1C(=O)N1CCCCC1.
What is the InChIKey of (5-ethyl-2-methylmorpholin-4-yl)-piperidin-1-ylmethanone?
The InChIKey is VRNSLQSTRNJELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-12-10-17-11(2)9-15(12)13(16)14-7-5-4-6-8-14/h11-12H,3-10H2,1-2H3.
What are the key properties of (5-ethyl-2-methylmorpholin-4-yl)-piperidin-1-ylmethanone?
(5-ethyl-2-methylmorpholin-4-yl)-piperidin-1-ylmethanone has a molecular weight of 240.35 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-2-methylmorpholin-4-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 113222014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).