1-cyclohexyloxycarbonyl-4-methylpiperazine-2-carboxylic acid

C13H22N2O4 — CID 18722245

IUPAC1-cyclohexyloxycarbonyl-4-methylpiperazine-2-carboxylic acid
SMILESCN1CCN(C(=O)OC2CCCCC2)C(C(=O)O)C1
InChIInChI=1S/C13H22N2O4/c1-14-7-8-15(11(9-14)12(16)17)13(18)19-10-5-3-2-4-6-10/h10-11H,2-9H2,1H3,(H,16,17)
InChIKeyYIORHZSMNJGJRY-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.16
Rot. Bonds2

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

1-cyclohexyloxycarbonyl-4-methylpiperazine-2-carboxylic acid (PubChem CID 18722245) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-cyclohexyloxycarbonyl-4-methylpiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-cyclohexyloxycarbonyl-4-methylpiperazine-2-carboxylic acid
PubChem CID18722245
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name1-cyclohexyloxycarbonyl-4-methylpiperazine-2-carboxylic acid
SMILESCN1CCN(C(=O)OC2CCCCC2)C(C(=O)O)C1
InChIInChI=1S/C13H22N2O4/c1-14-7-8-15(11(9-14)12(16)17)13(18)19-10-5-3-2-4-6-10/h10-11H,2-9H2,1H3,(H,16,17)
InChIKeyYIORHZSMNJGJRY-UHFFFAOYSA-N
XLogP1.16
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxycarbonyl-4-methylpiperazine-2-carboxylic acid?
The IUPAC name of 1-cyclohexyloxycarbonyl-4-methylpiperazine-2-carboxylic acid (CID 18722245) is 1-cyclohexyloxycarbonyl-4-methylpiperazine-2-carboxylic acid.
What is the SMILES notation for 1-cyclohexyloxycarbonyl-4-methylpiperazine-2-carboxylic acid?
The canonical SMILES for 1-cyclohexyloxycarbonyl-4-methylpiperazine-2-carboxylic acid is CN1CCN(C(=O)OC2CCCCC2)C(C(=O)O)C1.
What is the InChIKey of 1-cyclohexyloxycarbonyl-4-methylpiperazine-2-carboxylic acid?
The InChIKey is YIORHZSMNJGJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-14-7-8-15(11(9-14)12(16)17)13(18)19-10-5-3-2-4-6-10/h10-11H,2-9H2,1H3,(H,16,17).
What are the key properties of 1-cyclohexyloxycarbonyl-4-methylpiperazine-2-carboxylic acid?
1-cyclohexyloxycarbonyl-4-methylpiperazine-2-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxycarbonyl-4-methylpiperazine-2-carboxylic acid is sourced from PubChem (CID 18722245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).