1-(2-methoxyethyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride

C15H28ClN3O3 — CID 110282942

IUPAC1-(2-methoxyethyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride
SMILESCOCCN1CCNC(CC(=O)N2CCC(C)CC2)C1=O.Cl
InChIInChI=1S/C15H27N3O3.ClH/c1-12-3-6-17(7-4-12)14(19)11-13-15(20)18(8-5-16-13)9-10-21-2;/h12-13,16H,3-11H2,1-2H3;1H
InChIKeyJGCXKNMYRMLDLP-UHFFFAOYSA-N
MW333.86 g/mol
LogP0.50
Rot. Bonds5

About 1-(2-methoxyethyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride

1-(2-methoxyethyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride (PubChem CID 110282942) has the molecular formula C15H28ClN3O3 and a molecular weight of 333.86 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride
PubChem CID110282942
Molecular FormulaC15H28ClN3O3
Molecular Weight333.86 g/mol
Exact Mass333.18
IUPAC Name1-(2-methoxyethyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride
SMILESCOCCN1CCNC(CC(=O)N2CCC(C)CC2)C1=O.Cl
InChIInChI=1S/C15H27N3O3.ClH/c1-12-3-6-17(7-4-12)14(19)11-13-15(20)18(8-5-16-13)9-10-21-2;/h12-13,16H,3-11H2,1-2H3;1H
InChIKeyJGCXKNMYRMLDLP-UHFFFAOYSA-N
XLogP0.50
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride?
The IUPAC name of 1-(2-methoxyethyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride (CID 110282942) is 1-(2-methoxyethyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride.
What is the SMILES notation for 1-(2-methoxyethyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride?
The canonical SMILES for 1-(2-methoxyethyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride is COCCN1CCNC(CC(=O)N2CCC(C)CC2)C1=O.Cl.
What is the InChIKey of 1-(2-methoxyethyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride?
The InChIKey is JGCXKNMYRMLDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3.ClH/c1-12-3-6-17(7-4-12)14(19)11-13-15(20)18(8-5-16-13)9-10-21-2;/h12-13,16H,3-11H2,1-2H3;1H.
What are the key properties of 1-(2-methoxyethyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride?
1-(2-methoxyethyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride has a molecular weight of 333.86 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride is sourced from PubChem (CID 110282942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).