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

C9H18ClN3O3 — CID 110282381

IUPACN-(2-hydroxyethyl)-N-methyl-2-(3-oxopiperazin-2-yl)acetamide;hydrochloride
SMILESCN(CCO)C(=O)CC1NCCNC1=O.Cl
InChIInChI=1S/C9H17N3O3.ClH/c1-12(4-5-13)8(14)6-7-9(15)11-3-2-10-7;/h7,10,13H,2-6H2,1H3,(H,11,15);1H
InChIKeyIDAVOIAIDSFCTE-UHFFFAOYSA-N
MW251.71 g/mol
LogP-1.66
Rot. Bonds4

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

N-(2-hydroxyethyl)-N-methyl-2-(3-oxopiperazin-2-yl)acetamide;hydrochloride (PubChem CID 110282381) has the molecular formula C9H18ClN3O3 and a molecular weight of 251.71 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-methyl-2-(3-oxopiperazin-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-methyl-2-(3-oxopiperazin-2-yl)acetamide;hydrochloride
PubChem CID110282381
Molecular FormulaC9H18ClN3O3
Molecular Weight251.71 g/mol
Exact Mass251.10
IUPAC NameN-(2-hydroxyethyl)-N-methyl-2-(3-oxopiperazin-2-yl)acetamide;hydrochloride
SMILESCN(CCO)C(=O)CC1NCCNC1=O.Cl
InChIInChI=1S/C9H17N3O3.ClH/c1-12(4-5-13)8(14)6-7-9(15)11-3-2-10-7;/h7,10,13H,2-6H2,1H3,(H,11,15);1H
InChIKeyIDAVOIAIDSFCTE-UHFFFAOYSA-N
XLogP-1.66
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 5-1.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-methyl-2-(3-oxopiperazin-2-yl)acetamide;hydrochloride?
The IUPAC name of N-(2-hydroxyethyl)-N-methyl-2-(3-oxopiperazin-2-yl)acetamide;hydrochloride (CID 110282381) is N-(2-hydroxyethyl)-N-methyl-2-(3-oxopiperazin-2-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(2-hydroxyethyl)-N-methyl-2-(3-oxopiperazin-2-yl)acetamide;hydrochloride?
The canonical SMILES for N-(2-hydroxyethyl)-N-methyl-2-(3-oxopiperazin-2-yl)acetamide;hydrochloride is CN(CCO)C(=O)CC1NCCNC1=O.Cl.
What is the InChIKey of N-(2-hydroxyethyl)-N-methyl-2-(3-oxopiperazin-2-yl)acetamide;hydrochloride?
The InChIKey is IDAVOIAIDSFCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3.ClH/c1-12(4-5-13)8(14)6-7-9(15)11-3-2-10-7;/h7,10,13H,2-6H2,1H3,(H,11,15);1H.
What are the key properties of N-(2-hydroxyethyl)-N-methyl-2-(3-oxopiperazin-2-yl)acetamide;hydrochloride?
N-(2-hydroxyethyl)-N-methyl-2-(3-oxopiperazin-2-yl)acetamide;hydrochloride has a molecular weight of 251.71 g/mol, XLogP of -1.66, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-methyl-2-(3-oxopiperazin-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 110282381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).