methyl 2-(2,5-dioxo-4-propylpiperazin-1-yl)acetate

C10H16N2O4 — CID 79936130

IUPACmethyl 2-(2,5-dioxo-4-propylpiperazin-1-yl)acetate
SMILESCCCN1CC(=O)N(CC(=O)OC)CC1=O
InChIInChI=1S/C10H16N2O4/c1-3-4-11-5-9(14)12(6-8(11)13)7-10(15)16-2/h3-7H2,1-2H3
InChIKeyVBDNEBNIZWHZSW-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.76
Rot. Bonds4

About methyl 2-(2,5-dioxo-4-propylpiperazin-1-yl)acetate

methyl 2-(2,5-dioxo-4-propylpiperazin-1-yl)acetate (PubChem CID 79936130) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is methyl 2-(2,5-dioxo-4-propylpiperazin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2,5-dioxo-4-propylpiperazin-1-yl)acetate
PubChem CID79936130
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Namemethyl 2-(2,5-dioxo-4-propylpiperazin-1-yl)acetate
SMILESCCCN1CC(=O)N(CC(=O)OC)CC1=O
InChIInChI=1S/C10H16N2O4/c1-3-4-11-5-9(14)12(6-8(11)13)7-10(15)16-2/h3-7H2,1-2H3
InChIKeyVBDNEBNIZWHZSW-UHFFFAOYSA-N
XLogP-0.76
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-(2,5-dioxo-4-propylpiperazin-1-yl)acetate 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 methyl 2-(2,5-dioxo-4-propylpiperazin-1-yl)acetate?
The IUPAC name of methyl 2-(2,5-dioxo-4-propylpiperazin-1-yl)acetate (CID 79936130) is methyl 2-(2,5-dioxo-4-propylpiperazin-1-yl)acetate.
What is the SMILES notation for methyl 2-(2,5-dioxo-4-propylpiperazin-1-yl)acetate?
The canonical SMILES for methyl 2-(2,5-dioxo-4-propylpiperazin-1-yl)acetate is CCCN1CC(=O)N(CC(=O)OC)CC1=O.
What is the InChIKey of methyl 2-(2,5-dioxo-4-propylpiperazin-1-yl)acetate?
The InChIKey is VBDNEBNIZWHZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-3-4-11-5-9(14)12(6-8(11)13)7-10(15)16-2/h3-7H2,1-2H3.
What are the key properties of methyl 2-(2,5-dioxo-4-propylpiperazin-1-yl)acetate?
methyl 2-(2,5-dioxo-4-propylpiperazin-1-yl)acetate has a molecular weight of 228.25 g/mol, XLogP of -0.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,5-dioxo-4-propylpiperazin-1-yl)acetate is sourced from PubChem (CID 79936130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).