4-acetyl-1-methylpiperazine-2-carboxylic acid

C8H14N2O3 — CID 73440706

IUPAC4-acetyl-1-methylpiperazine-2-carboxylic acid
SMILESCC(=O)N1CCN(C)C(C(=O)O)C1
InChIInChI=1S/C8H14N2O3/c1-6(11)10-4-3-9(2)7(5-10)8(12)13/h7H,3-5H2,1-2H3,(H,12,13)
InChIKeyRGQXZCKWPRRDHB-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.77
Rot. Bonds1

About 4-acetyl-1-methylpiperazine-2-carboxylic acid

4-acetyl-1-methylpiperazine-2-carboxylic acid (PubChem CID 73440706) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 4-acetyl-1-methylpiperazine-2-carboxylic acid.

Molecular Properties

Compound Name4-acetyl-1-methylpiperazine-2-carboxylic acid
PubChem CID73440706
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name4-acetyl-1-methylpiperazine-2-carboxylic acid
SMILESCC(=O)N1CCN(C)C(C(=O)O)C1
InChIInChI=1S/C8H14N2O3/c1-6(11)10-4-3-9(2)7(5-10)8(12)13/h7H,3-5H2,1-2H3,(H,12,13)
InChIKeyRGQXZCKWPRRDHB-UHFFFAOYSA-N
XLogP-0.77
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Oxopiperazine-2-carboxylic acid
CID 21304731
methyl (2R)-1,4-diacetylpiperazine-2-carboxylate
CID 7161619
alpha-Ethyl-4-methyl-2,3-dioxo-1-piperazineacetic acid
CID 20955814
3-(4-acetylpiperazin-1-yl)propanoic Acid
CID 2050699
1,4-Di-Boc-piperazine-2-carboxylic acid
CID 11255979
(2R)-1,4-bis((tert-butoxy)carbonyl)piperazine-2-carboxylic acid
CID 26339502
4-((Tert-butoxy)carbonyl)-1-methylpiperazine-2-carboxylic acid
CID 60081042
(2S)-1-((tert-butoxy)carbonyl)-4-methylpiperazine-2-carboxylic acid
CID 69844519
1-Methyl-5-oxopiperazine-2-carboxylic acid
CID 84107661
1-((Tert-butoxy)carbonyl)-4-methyl-5-oxopiperazine-2-carboxylic acid
CID 130003265
(4-Butanoylpiperazin-1-YL)acetic acid
CID 28705027
1,4-Di(trifluoroacetyl)piperazine-2-carboxylic acid
CID 129780271

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-1-methylpiperazine-2-carboxylic acid?
The IUPAC name of 4-acetyl-1-methylpiperazine-2-carboxylic acid (CID 73440706) is 4-acetyl-1-methylpiperazine-2-carboxylic acid.
What is the SMILES notation for 4-acetyl-1-methylpiperazine-2-carboxylic acid?
The canonical SMILES for 4-acetyl-1-methylpiperazine-2-carboxylic acid is CC(=O)N1CCN(C)C(C(=O)O)C1.
What is the InChIKey of 4-acetyl-1-methylpiperazine-2-carboxylic acid?
The InChIKey is RGQXZCKWPRRDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-6(11)10-4-3-9(2)7(5-10)8(12)13/h7H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 4-acetyl-1-methylpiperazine-2-carboxylic acid?
4-acetyl-1-methylpiperazine-2-carboxylic acid has a molecular weight of 186.21 g/mol, XLogP of -0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-1-methylpiperazine-2-carboxylic acid is sourced from PubChem (CID 73440706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).