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

C14H24N2O3 — CID 1382907

IUPACethyl 2-[(2S)-1-cyclohexyl-3-oxopiperazin-2-yl]acetate
SMILESCCOC(=O)C[C@H]1C(=O)NCCN1C1CCCCC1
InChIInChI=1S/C14H24N2O3/c1-2-19-13(17)10-12-14(18)15-8-9-16(12)11-6-4-3-5-7-11/h11-12H,2-10H2,1H3,(H,15,18)/t12-/m0/s1
InChIKeyVICFIEVHYJHQAA-LBPRGKRZSA-N
MW268.36 g/mol
LogP1.07
Rot. Bonds4

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

ethyl 2-[(2S)-1-cyclohexyl-3-oxopiperazin-2-yl]acetate (PubChem CID 1382907) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is ethyl 2-[(2S)-1-cyclohexyl-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2S)-1-cyclohexyl-3-oxopiperazin-2-yl]acetate
PubChem CID1382907
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Nameethyl 2-[(2S)-1-cyclohexyl-3-oxopiperazin-2-yl]acetate
SMILESCCOC(=O)C[C@H]1C(=O)NCCN1C1CCCCC1
InChIInChI=1S/C14H24N2O3/c1-2-19-13(17)10-12-14(18)15-8-9-16(12)11-6-4-3-5-7-11/h11-12H,2-10H2,1H3,(H,15,18)/t12-/m0/s1
InChIKeyVICFIEVHYJHQAA-LBPRGKRZSA-N
XLogP1.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-(3-oxopiperazin-2-yl)acetate
CID 2998378
Ethyl 2-(3-oxopiperazin-2-yl)acetate
CID 544550
Tert-butyl 2-(2-ethoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylate
CID 4935497
Ethyl 4-oxo-4-(3-oxopiperazin-1-yl)butanoate
CID 2133505
Methyl (3-oxodecahydroquinoxalin-2-yl)acetate
CID 2950726
2-Quinoxalineacetic acid, 1-[(ethylamino)carbonyl]decahydro-3-oxo-, ethyl ester
CID 2969387
Ethyl [1-(cyclohexylcarbamoyl)-3-oxopiperazin-2-yl]acetate
CID 4889004
Ethyl 2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetate
CID 2996871
Tert-butyl 3-oxo-2-(2-oxo-2-propoxyethyl)piperazine-1-carboxylate
CID 3161315
Methyl 2-[1-(cyclohexylcarbamoyl)-3-oxopiperazin-2-yl]acetate
CID 2950779
Ethyl 2-(3,6-dioxopiperazin-2-yl)acetate
CID 355561
Methyl 2-(3-oxo-1-propanoylpiperazin-2-yl)acetate
CID 2959122

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2S)-1-cyclohexyl-3-oxopiperazin-2-yl]acetate?
The IUPAC name of ethyl 2-[(2S)-1-cyclohexyl-3-oxopiperazin-2-yl]acetate (CID 1382907) is ethyl 2-[(2S)-1-cyclohexyl-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[(2S)-1-cyclohexyl-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for ethyl 2-[(2S)-1-cyclohexyl-3-oxopiperazin-2-yl]acetate is CCOC(=O)C[C@H]1C(=O)NCCN1C1CCCCC1.
What is the InChIKey of ethyl 2-[(2S)-1-cyclohexyl-3-oxopiperazin-2-yl]acetate?
The InChIKey is VICFIEVHYJHQAA-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-2-19-13(17)10-12-14(18)15-8-9-16(12)11-6-4-3-5-7-11/h11-12H,2-10H2,1H3,(H,15,18)/t12-/m0/s1.
What are the key properties of ethyl 2-[(2S)-1-cyclohexyl-3-oxopiperazin-2-yl]acetate?
ethyl 2-[(2S)-1-cyclohexyl-3-oxopiperazin-2-yl]acetate has a molecular weight of 268.36 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2S)-1-cyclohexyl-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 1382907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).