cyclopentanecarbonyl piperazine-1-carboxylate

C11H18N2O3 — CID 118918508

IUPACcyclopentanecarbonyl piperazine-1-carboxylate
SMILESO=C(OC(=O)N1CCNCC1)C1CCCC1
InChIInChI=1S/C11H18N2O3/c14-10(9-3-1-2-4-9)16-11(15)13-7-5-12-6-8-13/h9,12H,1-8H2
InChIKeyLEXFCBSAYLKURF-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.75
Rot. Bonds1

About cyclopentanecarbonyl piperazine-1-carboxylate

cyclopentanecarbonyl piperazine-1-carboxylate (PubChem CID 118918508) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is cyclopentanecarbonyl piperazine-1-carboxylate.

Molecular Properties

Compound Namecyclopentanecarbonyl piperazine-1-carboxylate
PubChem CID118918508
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Namecyclopentanecarbonyl piperazine-1-carboxylate
SMILESO=C(OC(=O)N1CCNCC1)C1CCCC1
InChIInChI=1S/C11H18N2O3/c14-10(9-3-1-2-4-9)16-11(15)13-7-5-12-6-8-13/h9,12H,1-8H2
InChIKeyLEXFCBSAYLKURF-UHFFFAOYSA-N
XLogP0.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopentanecarbonyl piperazine-1-carboxylate?
The IUPAC name of cyclopentanecarbonyl piperazine-1-carboxylate (CID 118918508) is cyclopentanecarbonyl piperazine-1-carboxylate.
What is the SMILES notation for cyclopentanecarbonyl piperazine-1-carboxylate?
The canonical SMILES for cyclopentanecarbonyl piperazine-1-carboxylate is O=C(OC(=O)N1CCNCC1)C1CCCC1.
What is the InChIKey of cyclopentanecarbonyl piperazine-1-carboxylate?
The InChIKey is LEXFCBSAYLKURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c14-10(9-3-1-2-4-9)16-11(15)13-7-5-12-6-8-13/h9,12H,1-8H2.
What are the key properties of cyclopentanecarbonyl piperazine-1-carboxylate?
cyclopentanecarbonyl piperazine-1-carboxylate has a molecular weight of 226.28 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentanecarbonyl piperazine-1-carboxylate is sourced from PubChem (CID 118918508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).