3-(4-acetylpiperazine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid

C13H20N2O4 — CID 25219924

IUPAC3-(4-acetylpiperazine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC(=O)N1CCN(C(=O)C2C(C(=O)O)C2(C)C)CC1
InChIInChI=1S/C13H20N2O4/c1-8(16)14-4-6-15(7-5-14)11(17)9-10(12(18)19)13(9,2)3/h9-10H,4-7H2,1-3H3,(H,18,19)
InChIKeyKKWLWXWVUPRSIJ-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.03
Rot. Bonds2

About 3-(4-acetylpiperazine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid

3-(4-acetylpiperazine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 25219924) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 3-(4-acetylpiperazine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name3-(4-acetylpiperazine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID25219924
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name3-(4-acetylpiperazine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC(=O)N1CCN(C(=O)C2C(C(=O)O)C2(C)C)CC1
InChIInChI=1S/C13H20N2O4/c1-8(16)14-4-6-15(7-5-14)11(17)9-10(12(18)19)13(9,2)3/h9-10H,4-7H2,1-3H3,(H,18,19)
InChIKeyKKWLWXWVUPRSIJ-UHFFFAOYSA-N
XLogP0.03
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylpiperazine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 3-(4-acetylpiperazine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid (CID 25219924) is 3-(4-acetylpiperazine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 3-(4-acetylpiperazine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 3-(4-acetylpiperazine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid is CC(=O)N1CCN(C(=O)C2C(C(=O)O)C2(C)C)CC1.
What is the InChIKey of 3-(4-acetylpiperazine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is KKWLWXWVUPRSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-8(16)14-4-6-15(7-5-14)11(17)9-10(12(18)19)13(9,2)3/h9-10H,4-7H2,1-3H3,(H,18,19).
What are the key properties of 3-(4-acetylpiperazine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
3-(4-acetylpiperazine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 268.31 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylpiperazine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 25219924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).