1-[4-(2,2-dimethoxyethyl)piperazin-1-yl]propan-1-one

C11H22N2O3 — CID 99714682

IUPAC1-[4-(2,2-dimethoxyethyl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(CC(OC)OC)CC1
InChIInChI=1S/C11H22N2O3/c1-4-10(14)13-7-5-12(6-8-13)9-11(15-2)16-3/h11H,4-9H2,1-3H3
InChIKeyUQXZSCGAXZSHMO-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.16
Rot. Bonds5

About 1-[4-(2,2-dimethoxyethyl)piperazin-1-yl]propan-1-one

1-[4-(2,2-dimethoxyethyl)piperazin-1-yl]propan-1-one (PubChem CID 99714682) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-[4-(2,2-dimethoxyethyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(2,2-dimethoxyethyl)piperazin-1-yl]propan-1-one
PubChem CID99714682
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name1-[4-(2,2-dimethoxyethyl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(CC(OC)OC)CC1
InChIInChI=1S/C11H22N2O3/c1-4-10(14)13-7-5-12(6-8-13)9-11(15-2)16-3/h11H,4-9H2,1-3H3
InChIKeyUQXZSCGAXZSHMO-UHFFFAOYSA-N
XLogP0.16
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[4-(2,2-dimethoxyethyl)piperazin-1-yl]propan-1-one 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 1-[4-(2,2-dimethoxyethyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(2,2-dimethoxyethyl)piperazin-1-yl]propan-1-one (CID 99714682) is 1-[4-(2,2-dimethoxyethyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(2,2-dimethoxyethyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(2,2-dimethoxyethyl)piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(CC(OC)OC)CC1.
What is the InChIKey of 1-[4-(2,2-dimethoxyethyl)piperazin-1-yl]propan-1-one?
The InChIKey is UQXZSCGAXZSHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-4-10(14)13-7-5-12(6-8-13)9-11(15-2)16-3/h11H,4-9H2,1-3H3.
What are the key properties of 1-[4-(2,2-dimethoxyethyl)piperazin-1-yl]propan-1-one?
1-[4-(2,2-dimethoxyethyl)piperazin-1-yl]propan-1-one has a molecular weight of 230.31 g/mol, XLogP of 0.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-dimethoxyethyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 99714682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).