ethyl 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]acetate

C15H26N2O3 — CID 2997384

IUPACethyl 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]acetate
SMILESCCOC(=O)CC1C(=O)NCCN1CC1CCCCC1
InChIInChI=1S/C15H26N2O3/c1-2-20-14(18)10-13-15(19)16-8-9-17(13)11-12-6-4-3-5-7-12/h12-13H,2-11H2,1H3,(H,16,19)
InChIKeyHCBKHMYAGPJCMV-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.32
Rot. Bonds5

About ethyl 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]acetate

ethyl 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]acetate (PubChem CID 2997384) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is ethyl 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]acetate
PubChem CID2997384
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Nameethyl 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]acetate
SMILESCCOC(=O)CC1C(=O)NCCN1CC1CCCCC1
InChIInChI=1S/C15H26N2O3/c1-2-20-14(18)10-13-15(19)16-8-9-17(13)11-12-6-4-3-5-7-12/h12-13H,2-11H2,1H3,(H,16,19)
InChIKeyHCBKHMYAGPJCMV-UHFFFAOYSA-N
XLogP1.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]acetate?
The IUPAC name of ethyl 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]acetate (CID 2997384) is ethyl 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for ethyl 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]acetate is CCOC(=O)CC1C(=O)NCCN1CC1CCCCC1.
What is the InChIKey of ethyl 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]acetate?
The InChIKey is HCBKHMYAGPJCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-2-20-14(18)10-13-15(19)16-8-9-17(13)11-12-6-4-3-5-7-12/h12-13H,2-11H2,1H3,(H,16,19).
What are the key properties of ethyl 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]acetate?
ethyl 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]acetate has a molecular weight of 282.38 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 2997384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).