(5-ethyl-2-methylmorpholin-4-yl)-piperazin-2-ylmethanone

C12H23N3O2 — CID 63104526

IUPAC(5-ethyl-2-methylmorpholin-4-yl)-piperazin-2-ylmethanone
SMILESCCC1COC(C)CN1C(=O)C1CNCCN1
InChIInChI=1S/C12H23N3O2/c1-3-10-8-17-9(2)7-15(10)12(16)11-6-13-4-5-14-11/h9-11,13-14H,3-8H2,1-2H3
InChIKeyOEHVWOWUIOJKOY-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.43
Rot. Bonds2

About (5-ethyl-2-methylmorpholin-4-yl)-piperazin-2-ylmethanone

(5-ethyl-2-methylmorpholin-4-yl)-piperazin-2-ylmethanone (PubChem CID 63104526) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is (5-ethyl-2-methylmorpholin-4-yl)-piperazin-2-ylmethanone.

Molecular Properties

Compound Name(5-ethyl-2-methylmorpholin-4-yl)-piperazin-2-ylmethanone
PubChem CID63104526
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name(5-ethyl-2-methylmorpholin-4-yl)-piperazin-2-ylmethanone
SMILESCCC1COC(C)CN1C(=O)C1CNCCN1
InChIInChI=1S/C12H23N3O2/c1-3-10-8-17-9(2)7-15(10)12(16)11-6-13-4-5-14-11/h9-11,13-14H,3-8H2,1-2H3
InChIKeyOEHVWOWUIOJKOY-UHFFFAOYSA-N
XLogP-0.43
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-ethyl-2-methylmorpholin-4-yl)-piperazin-2-ylmethanone?
The IUPAC name of (5-ethyl-2-methylmorpholin-4-yl)-piperazin-2-ylmethanone (CID 63104526) is (5-ethyl-2-methylmorpholin-4-yl)-piperazin-2-ylmethanone.
What is the SMILES notation for (5-ethyl-2-methylmorpholin-4-yl)-piperazin-2-ylmethanone?
The canonical SMILES for (5-ethyl-2-methylmorpholin-4-yl)-piperazin-2-ylmethanone is CCC1COC(C)CN1C(=O)C1CNCCN1.
What is the InChIKey of (5-ethyl-2-methylmorpholin-4-yl)-piperazin-2-ylmethanone?
The InChIKey is OEHVWOWUIOJKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-3-10-8-17-9(2)7-15(10)12(16)11-6-13-4-5-14-11/h9-11,13-14H,3-8H2,1-2H3.
What are the key properties of (5-ethyl-2-methylmorpholin-4-yl)-piperazin-2-ylmethanone?
(5-ethyl-2-methylmorpholin-4-yl)-piperazin-2-ylmethanone has a molecular weight of 241.33 g/mol, XLogP of -0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-2-methylmorpholin-4-yl)-piperazin-2-ylmethanone is sourced from PubChem (CID 63104526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).