ethyl 2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetate

C13H22N2O3 — CID 2996871

IUPACethyl 2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetate
SMILESCCOC(=O)CC1C(=O)NCCN1C1CCCC1
InChIInChI=1S/C13H22N2O3/c1-2-18-12(16)9-11-13(17)14-7-8-15(11)10-5-3-4-6-10/h10-11H,2-9H2,1H3,(H,14,17)
InChIKeyNIRMRGKOYCQDGE-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.68
Rot. Bonds4

About ethyl 2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetate

ethyl 2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetate (PubChem CID 2996871) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is ethyl 2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetate
PubChem CID2996871
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Nameethyl 2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetate
SMILESCCOC(=O)CC1C(=O)NCCN1C1CCCC1
InChIInChI=1S/C13H22N2O3/c1-2-18-12(16)9-11-13(17)14-7-8-15(11)10-5-3-4-6-10/h10-11H,2-9H2,1H3,(H,14,17)
InChIKeyNIRMRGKOYCQDGE-UHFFFAOYSA-N
XLogP0.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetate?
The IUPAC name of ethyl 2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetate (CID 2996871) is ethyl 2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetate.
What is the SMILES notation for ethyl 2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetate?
The canonical SMILES for ethyl 2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetate is CCOC(=O)CC1C(=O)NCCN1C1CCCC1.
What is the InChIKey of ethyl 2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetate?
The InChIKey is NIRMRGKOYCQDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-2-18-12(16)9-11-13(17)14-7-8-15(11)10-5-3-4-6-10/h10-11H,2-9H2,1H3,(H,14,17).
What are the key properties of ethyl 2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetate?
ethyl 2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetate has a molecular weight of 254.33 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetate is sourced from PubChem (CID 2996871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).