1-(4-methylpiperazine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid

C11H18N4O4 — CID 107437216

IUPAC1-(4-methylpiperazine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid
SMILESCN1CCN(C(=O)N2CC(=O)NCC2C(=O)O)CC1
InChIInChI=1S/C11H18N4O4/c1-13-2-4-14(5-3-13)11(19)15-7-9(16)12-6-8(15)10(17)18/h8H,2-7H2,1H3,(H,12,16)(H,17,18)
InChIKeyREXDSMFKUNTGHW-UHFFFAOYSA-N
MW270.29 g/mol
LogP-1.76
Rot. Bonds1

About 1-(4-methylpiperazine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid

1-(4-methylpiperazine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid (PubChem CID 107437216) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is 1-(4-methylpiperazine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-methylpiperazine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid
PubChem CID107437216
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC Name1-(4-methylpiperazine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid
SMILESCN1CCN(C(=O)N2CC(=O)NCC2C(=O)O)CC1
InChIInChI=1S/C11H18N4O4/c1-13-2-4-14(5-3-13)11(19)15-7-9(16)12-6-8(15)10(17)18/h8H,2-7H2,1H3,(H,12,16)(H,17,18)
InChIKeyREXDSMFKUNTGHW-UHFFFAOYSA-N
XLogP-1.76
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 5-1.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-oxo-1-(5-oxo-1,4-diazepane-1-carbonyl)piperazine-2-carboxylic acid
CID 107438696
1-(4-ethoxypiperidine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107438116
1-[methyl-(1-methylpiperidin-4-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107437605
1-(1-methylpyrrolidine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107432800
1-[3-(aminomethyl)pyrrolidine-1-carbonyl]-5-oxopiperazine-2-carboxylic acid
CID 107438597
1-(3-methoxy-3-methylpiperidine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107439498
1-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]-5-oxopiperazine-2-carboxylic acid
CID 107439443
1-(cyclopropanecarbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107432929
1-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107438360
1-benzoyl-5-oxopiperazine-2-carboxylic acid
CID 107432787
5-oxo-1-(2-propan-2-ylsulfanylacetyl)piperazine-2-carboxylic acid
CID 107432944
1-octanoyl-5-oxopiperazine-2-carboxylic acid
CID 107432834

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid?
The IUPAC name of 1-(4-methylpiperazine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid (CID 107437216) is 1-(4-methylpiperazine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid.
What is the SMILES notation for 1-(4-methylpiperazine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid?
The canonical SMILES for 1-(4-methylpiperazine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid is CN1CCN(C(=O)N2CC(=O)NCC2C(=O)O)CC1.
What is the InChIKey of 1-(4-methylpiperazine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid?
The InChIKey is REXDSMFKUNTGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4/c1-13-2-4-14(5-3-13)11(19)15-7-9(16)12-6-8(15)10(17)18/h8H,2-7H2,1H3,(H,12,16)(H,17,18).
What are the key properties of 1-(4-methylpiperazine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid?
1-(4-methylpiperazine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid has a molecular weight of 270.29 g/mol, XLogP of -1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid is sourced from PubChem (CID 107437216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).