methyl 2-[[2-[4-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]piperazin-1-yl]acetyl]amino]acetate

C14H24N4O6 — CID 100928751

IUPACmethyl 2-[[2-[4-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]piperazin-1-yl]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)CN1CCN(CC(=O)NCC(=O)OC)CC1
InChIInChI=1S/C14H24N4O6/c1-23-13(21)7-15-11(19)9-17-3-5-18(6-4-17)10-12(20)16-8-14(22)24-2/h3-10H2,1-2H3,(H,15,19)(H,16,20)
InChIKeyWFDXAFZGRSDSJN-UHFFFAOYSA-N
MW344.37 g/mol
LogP-2.82
Rot. Bonds8

About methyl 2-[[2-[4-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]piperazin-1-yl]acetyl]amino]acetate

methyl 2-[[2-[4-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]piperazin-1-yl]acetyl]amino]acetate (PubChem CID 100928751) has the molecular formula C14H24N4O6 and a molecular weight of 344.37 g/mol. Its IUPAC name is methyl 2-[[2-[4-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]piperazin-1-yl]acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[4-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]piperazin-1-yl]acetyl]amino]acetate
PubChem CID100928751
Molecular FormulaC14H24N4O6
Molecular Weight344.37 g/mol
Exact Mass344.17
IUPAC Namemethyl 2-[[2-[4-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]piperazin-1-yl]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)CN1CCN(CC(=O)NCC(=O)OC)CC1
InChIInChI=1S/C14H24N4O6/c1-23-13(21)7-15-11(19)9-17-3-5-18(6-4-17)10-12(20)16-8-14(22)24-2/h3-10H2,1-2H3,(H,15,19)(H,16,20)
InChIKeyWFDXAFZGRSDSJN-UHFFFAOYSA-N
XLogP-2.82
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 5-2.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 2-[[2-[4-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]piperazin-1-yl]acetyl]amino]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-[4-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]piperazin-1-yl]acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-[4-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]piperazin-1-yl]acetyl]amino]acetate (CID 100928751) is methyl 2-[[2-[4-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]piperazin-1-yl]acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-[4-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]piperazin-1-yl]acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-[4-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]piperazin-1-yl]acetyl]amino]acetate is COC(=O)CNC(=O)CN1CCN(CC(=O)NCC(=O)OC)CC1.
What is the InChIKey of methyl 2-[[2-[4-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]piperazin-1-yl]acetyl]amino]acetate?
The InChIKey is WFDXAFZGRSDSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O6/c1-23-13(21)7-15-11(19)9-17-3-5-18(6-4-17)10-12(20)16-8-14(22)24-2/h3-10H2,1-2H3,(H,15,19)(H,16,20).
What are the key properties of methyl 2-[[2-[4-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]piperazin-1-yl]acetyl]amino]acetate?
methyl 2-[[2-[4-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]piperazin-1-yl]acetyl]amino]acetate has a molecular weight of 344.37 g/mol, XLogP of -2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[4-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]piperazin-1-yl]acetyl]amino]acetate is sourced from PubChem (CID 100928751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).