N-ethyl-N-(2-hydroxyethyl)-2-(4-methyl-3-oxopiperazin-2-yl)acetamide;hydrochloride

C11H22ClN3O3 — CID 110282464

IUPACN-ethyl-N-(2-hydroxyethyl)-2-(4-methyl-3-oxopiperazin-2-yl)acetamide;hydrochloride
SMILESCCN(CCO)C(=O)CC1NCCN(C)C1=O.Cl
InChIInChI=1S/C11H21N3O3.ClH/c1-3-14(6-7-15)10(16)8-9-11(17)13(2)5-4-12-9;/h9,12,15H,3-8H2,1-2H3;1H
InChIKeyPKXYBUNPWRPGLQ-UHFFFAOYSA-N
MW279.77 g/mol
LogP-0.93
Rot. Bonds5

About N-ethyl-N-(2-hydroxyethyl)-2-(4-methyl-3-oxopiperazin-2-yl)acetamide;hydrochloride

N-ethyl-N-(2-hydroxyethyl)-2-(4-methyl-3-oxopiperazin-2-yl)acetamide;hydrochloride (PubChem CID 110282464) has the molecular formula C11H22ClN3O3 and a molecular weight of 279.77 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-2-(4-methyl-3-oxopiperazin-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-2-(4-methyl-3-oxopiperazin-2-yl)acetamide;hydrochloride
PubChem CID110282464
Molecular FormulaC11H22ClN3O3
Molecular Weight279.77 g/mol
Exact Mass279.13
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-2-(4-methyl-3-oxopiperazin-2-yl)acetamide;hydrochloride
SMILESCCN(CCO)C(=O)CC1NCCN(C)C1=O.Cl
InChIInChI=1S/C11H21N3O3.ClH/c1-3-14(6-7-15)10(16)8-9-11(17)13(2)5-4-12-9;/h9,12,15H,3-8H2,1-2H3;1H
InChIKeyPKXYBUNPWRPGLQ-UHFFFAOYSA-N
XLogP-0.93
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)-2-(4-methyl-3-oxopiperazin-2-yl)acetamide;hydrochloride?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-2-(4-methyl-3-oxopiperazin-2-yl)acetamide;hydrochloride (CID 110282464) is N-ethyl-N-(2-hydroxyethyl)-2-(4-methyl-3-oxopiperazin-2-yl)acetamide;hydrochloride.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-2-(4-methyl-3-oxopiperazin-2-yl)acetamide;hydrochloride?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-2-(4-methyl-3-oxopiperazin-2-yl)acetamide;hydrochloride is CCN(CCO)C(=O)CC1NCCN(C)C1=O.Cl.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-2-(4-methyl-3-oxopiperazin-2-yl)acetamide;hydrochloride?
The InChIKey is PKXYBUNPWRPGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3.ClH/c1-3-14(6-7-15)10(16)8-9-11(17)13(2)5-4-12-9;/h9,12,15H,3-8H2,1-2H3;1H.
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-2-(4-methyl-3-oxopiperazin-2-yl)acetamide;hydrochloride?
N-ethyl-N-(2-hydroxyethyl)-2-(4-methyl-3-oxopiperazin-2-yl)acetamide;hydrochloride has a molecular weight of 279.77 g/mol, XLogP of -0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-2-(4-methyl-3-oxopiperazin-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 110282464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).