4-(2,2-dimethoxyethyl)-1-methylpiperazin-2-one

C9H18N2O3 — CID 66222147

IUPAC4-(2,2-dimethoxyethyl)-1-methylpiperazin-2-one
SMILESCOC(CN1CCN(C)C(=O)C1)OC
InChIInChI=1S/C9H18N2O3/c1-10-4-5-11(6-8(10)12)7-9(13-2)14-3/h9H,4-7H2,1-3H3
InChIKeyNUIVSKWEEIHBIC-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.62
Rot. Bonds4

About 4-(2,2-dimethoxyethyl)-1-methylpiperazin-2-one

4-(2,2-dimethoxyethyl)-1-methylpiperazin-2-one (PubChem CID 66222147) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 4-(2,2-dimethoxyethyl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(2,2-dimethoxyethyl)-1-methylpiperazin-2-one
PubChem CID66222147
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name4-(2,2-dimethoxyethyl)-1-methylpiperazin-2-one
SMILESCOC(CN1CCN(C)C(=O)C1)OC
InChIInChI=1S/C9H18N2O3/c1-10-4-5-11(6-8(10)12)7-9(13-2)14-3/h9H,4-7H2,1-3H3
InChIKeyNUIVSKWEEIHBIC-UHFFFAOYSA-N
XLogP-0.62
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(2,2-dimethoxyethyl)-N,N'-dimethyloxamide
CID 3418065
Ethyl 2-(4-acetylpiperazino)acetate
CID 28841691
4-Acetyl-1-(2-ethoxy-2-oxoethyl)-1-methylhexahydropyrazin-1-ium
CID 16193174
N,N-Diethyl-2-morpholino-2-oxoacetamide
CID 45587187
1-[4-(2,2-Dimethoxyethyl)piperazin-1-yl]propan-1-one
CID 99714682
4-(2-Methoxyethyl)-1-methylpiperazin-2-one
CID 117005154
N,N-bis(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 3229443
2-(Diethylamino)-1-morpholin-4-ylethanone;hydrochloride
CID 53423324
2-(Diethylamino)-1-morpholin-4-ylethanone
CID 412507
N,N-Diethylmorpholinoacetamide
CID 15390349
1-[4-(2-Methoxyethyl)piperazin-1-yl]ethanone
CID 20739802
2-(4-Acetylpiperazin-1-yl)ethyl formate
CID 22330012

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethoxyethyl)-1-methylpiperazin-2-one?
The IUPAC name of 4-(2,2-dimethoxyethyl)-1-methylpiperazin-2-one (CID 66222147) is 4-(2,2-dimethoxyethyl)-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(2,2-dimethoxyethyl)-1-methylpiperazin-2-one?
The canonical SMILES for 4-(2,2-dimethoxyethyl)-1-methylpiperazin-2-one is COC(CN1CCN(C)C(=O)C1)OC.
What is the InChIKey of 4-(2,2-dimethoxyethyl)-1-methylpiperazin-2-one?
The InChIKey is NUIVSKWEEIHBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-10-4-5-11(6-8(10)12)7-9(13-2)14-3/h9H,4-7H2,1-3H3.
What are the key properties of 4-(2,2-dimethoxyethyl)-1-methylpiperazin-2-one?
4-(2,2-dimethoxyethyl)-1-methylpiperazin-2-one has a molecular weight of 202.25 g/mol, XLogP of -0.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethoxyethyl)-1-methylpiperazin-2-one is sourced from PubChem (CID 66222147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).