N-[2-(dimethylamino)ethyl]-2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]acetamide;hydrochloride

C13H27ClN4O3 — CID 110282990

IUPACN-[2-(dimethylamino)ethyl]-2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]acetamide;hydrochloride
SMILESCOCCN1CCNC(CC(=O)NCCN(C)C)C1=O.Cl
InChIInChI=1S/C13H26N4O3.ClH/c1-16(2)6-4-15-12(18)10-11-13(19)17(7-5-14-11)8-9-20-3;/h11,14H,4-10H2,1-3H3,(H,15,18);1H
InChIKeyRWRMWMYBVOLFFP-UHFFFAOYSA-N
MW322.84 g/mol
LogP-1.08
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]acetamide;hydrochloride

N-[2-(dimethylamino)ethyl]-2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]acetamide;hydrochloride (PubChem CID 110282990) has the molecular formula C13H27ClN4O3 and a molecular weight of 322.84 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]acetamide;hydrochloride
PubChem CID110282990
Molecular FormulaC13H27ClN4O3
Molecular Weight322.84 g/mol
Exact Mass322.18
IUPAC NameN-[2-(dimethylamino)ethyl]-2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]acetamide;hydrochloride
SMILESCOCCN1CCNC(CC(=O)NCCN(C)C)C1=O.Cl
InChIInChI=1S/C13H26N4O3.ClH/c1-16(2)6-4-15-12(18)10-11-13(19)17(7-5-14-11)8-9-20-3;/h11,14H,4-10H2,1-3H3,(H,15,18);1H
InChIKeyRWRMWMYBVOLFFP-UHFFFAOYSA-N
XLogP-1.08
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(dimethylamino)ethyl]-2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]acetamide;hydrochloride?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]acetamide;hydrochloride (CID 110282990) is N-[2-(dimethylamino)ethyl]-2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]acetamide;hydrochloride.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]acetamide;hydrochloride?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]acetamide;hydrochloride is COCCN1CCNC(CC(=O)NCCN(C)C)C1=O.Cl.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]acetamide;hydrochloride?
The InChIKey is RWRMWMYBVOLFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O3.ClH/c1-16(2)6-4-15-12(18)10-11-13(19)17(7-5-14-11)8-9-20-3;/h11,14H,4-10H2,1-3H3,(H,15,18);1H.
What are the key properties of N-[2-(dimethylamino)ethyl]-2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]acetamide;hydrochloride?
N-[2-(dimethylamino)ethyl]-2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]acetamide;hydrochloride has a molecular weight of 322.84 g/mol, XLogP of -1.08, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]acetamide;hydrochloride is sourced from PubChem (CID 110282990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).