ethyl 1-(2,2-dimethylcyclopentanecarbonyl)piperazine-2-carboxylate

C15H26N2O3 — CID 107180851

IUPACethyl 1-(2,2-dimethylcyclopentanecarbonyl)piperazine-2-carboxylate
SMILESCCOC(=O)C1CNCCN1C(=O)C1CCCC1(C)C
InChIInChI=1S/C15H26N2O3/c1-4-20-14(19)12-10-16-8-9-17(12)13(18)11-6-5-7-15(11,2)3/h11-12,16H,4-10H2,1-3H3
InChIKeyJDOATPJTQYAERE-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.18
Rot. Bonds3

About ethyl 1-(2,2-dimethylcyclopentanecarbonyl)piperazine-2-carboxylate

ethyl 1-(2,2-dimethylcyclopentanecarbonyl)piperazine-2-carboxylate (PubChem CID 107180851) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is ethyl 1-(2,2-dimethylcyclopentanecarbonyl)piperazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2,2-dimethylcyclopentanecarbonyl)piperazine-2-carboxylate
PubChem CID107180851
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Nameethyl 1-(2,2-dimethylcyclopentanecarbonyl)piperazine-2-carboxylate
SMILESCCOC(=O)C1CNCCN1C(=O)C1CCCC1(C)C
InChIInChI=1S/C15H26N2O3/c1-4-20-14(19)12-10-16-8-9-17(12)13(18)11-6-5-7-15(11,2)3/h11-12,16H,4-10H2,1-3H3
InChIKeyJDOATPJTQYAERE-UHFFFAOYSA-N
XLogP1.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2,2-dimethylcyclopentanecarbonyl)piperazine-2-carboxylate?
The IUPAC name of ethyl 1-(2,2-dimethylcyclopentanecarbonyl)piperazine-2-carboxylate (CID 107180851) is ethyl 1-(2,2-dimethylcyclopentanecarbonyl)piperazine-2-carboxylate.
What is the SMILES notation for ethyl 1-(2,2-dimethylcyclopentanecarbonyl)piperazine-2-carboxylate?
The canonical SMILES for ethyl 1-(2,2-dimethylcyclopentanecarbonyl)piperazine-2-carboxylate is CCOC(=O)C1CNCCN1C(=O)C1CCCC1(C)C.
What is the InChIKey of ethyl 1-(2,2-dimethylcyclopentanecarbonyl)piperazine-2-carboxylate?
The InChIKey is JDOATPJTQYAERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-4-20-14(19)12-10-16-8-9-17(12)13(18)11-6-5-7-15(11,2)3/h11-12,16H,4-10H2,1-3H3.
What are the key properties of ethyl 1-(2,2-dimethylcyclopentanecarbonyl)piperazine-2-carboxylate?
ethyl 1-(2,2-dimethylcyclopentanecarbonyl)piperazine-2-carboxylate has a molecular weight of 282.38 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2,2-dimethylcyclopentanecarbonyl)piperazine-2-carboxylate is sourced from PubChem (CID 107180851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).