methyl 2-[4-(5-oxopiperazine-2-carbonyl)piperazin-1-yl]acetate

C12H20N4O4 — CID 107435401

IUPACmethyl 2-[4-(5-oxopiperazine-2-carbonyl)piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(C(=O)C2CNC(=O)CN2)CC1
InChIInChI=1S/C12H20N4O4/c1-20-11(18)8-15-2-4-16(5-3-15)12(19)9-6-14-10(17)7-13-9/h9,13H,2-8H2,1H3,(H,14,17)
InChIKeyBAIAUVPLNLHZQW-UHFFFAOYSA-N
MW284.32 g/mol
LogP-2.61
Rot. Bonds3

About methyl 2-[4-(5-oxopiperazine-2-carbonyl)piperazin-1-yl]acetate

methyl 2-[4-(5-oxopiperazine-2-carbonyl)piperazin-1-yl]acetate (PubChem CID 107435401) has the molecular formula C12H20N4O4 and a molecular weight of 284.32 g/mol. Its IUPAC name is methyl 2-[4-(5-oxopiperazine-2-carbonyl)piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(5-oxopiperazine-2-carbonyl)piperazin-1-yl]acetate
PubChem CID107435401
Molecular FormulaC12H20N4O4
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC Namemethyl 2-[4-(5-oxopiperazine-2-carbonyl)piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(C(=O)C2CNC(=O)CN2)CC1
InChIInChI=1S/C12H20N4O4/c1-20-11(18)8-15-2-4-16(5-3-15)12(19)9-6-14-10(17)7-13-9/h9,13H,2-8H2,1H3,(H,14,17)
InChIKeyBAIAUVPLNLHZQW-UHFFFAOYSA-N
XLogP-2.61
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 5-2.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(azetidine-1-carbonyl)piperazin-2-one
CID 126980518
methyl 2-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]acetate
CID 93376360
2-methyl-N-[1-(5-oxopiperazine-2-carbonyl)piperidin-4-yl]propanamide
CID 107435207
cis-(1S,2R)-2-[4-(2-methoxy-2-oxoethyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 93379447
5-(4-tert-butylazepane-1-carbonyl)piperazin-2-one
CID 107436688
methyl 2-[10-(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazabicyclo[5.5.2]tetradecan-4-yl]acetate
CID 22889204
5-(3,6-dihydro-2H-pyridine-1-carbonyl)piperazin-2-one
CID 107437768
5-(3-piperidin-1-ylpyrrolidine-1-carbonyl)piperazin-2-one
CID 107436462
methyl 2-[4-[2-(azetidin-3-yl)acetyl]piperazin-1-yl]acetate
CID 64611192
1-(5-oxopiperazine-2-carbonyl)pyrrolidine-3-carboxamide
CID 114081877
3-ethyl-1-(5-oxopiperazine-2-carbonyl)piperidine-3-carboxylic acid
CID 107436436
methyl 2-[4-(2-aminopropanoyl)piperazin-1-yl]acetate
CID 60953142

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(5-oxopiperazine-2-carbonyl)piperazin-1-yl]acetate?
The IUPAC name of methyl 2-[4-(5-oxopiperazine-2-carbonyl)piperazin-1-yl]acetate (CID 107435401) is methyl 2-[4-(5-oxopiperazine-2-carbonyl)piperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-(5-oxopiperazine-2-carbonyl)piperazin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-(5-oxopiperazine-2-carbonyl)piperazin-1-yl]acetate is COC(=O)CN1CCN(C(=O)C2CNC(=O)CN2)CC1.
What is the InChIKey of methyl 2-[4-(5-oxopiperazine-2-carbonyl)piperazin-1-yl]acetate?
The InChIKey is BAIAUVPLNLHZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4/c1-20-11(18)8-15-2-4-16(5-3-15)12(19)9-6-14-10(17)7-13-9/h9,13H,2-8H2,1H3,(H,14,17).
What are the key properties of methyl 2-[4-(5-oxopiperazine-2-carbonyl)piperazin-1-yl]acetate?
methyl 2-[4-(5-oxopiperazine-2-carbonyl)piperazin-1-yl]acetate has a molecular weight of 284.32 g/mol, XLogP of -2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(5-oxopiperazine-2-carbonyl)piperazin-1-yl]acetate is sourced from PubChem (CID 107435401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).