ethyl 2-[1-(2-cyclohexylethyl)-2-oxopiperidin-4-yl]acetate

C17H29NO3 — CID 143875958

IUPACethyl 2-[1-(2-cyclohexylethyl)-2-oxopiperidin-4-yl]acetate
SMILESCCOC(=O)CC1CCN(CCC2CCCCC2)C(=O)C1
InChIInChI=1S/C17H29NO3/c1-2-21-17(20)13-15-9-11-18(16(19)12-15)10-8-14-6-4-3-5-7-14/h14-15H,2-13H2,1H3
InChIKeyBDRPJFVZWGSALU-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.15
Rot. Bonds6

About ethyl 2-[1-(2-cyclohexylethyl)-2-oxopiperidin-4-yl]acetate

ethyl 2-[1-(2-cyclohexylethyl)-2-oxopiperidin-4-yl]acetate (PubChem CID 143875958) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is ethyl 2-[1-(2-cyclohexylethyl)-2-oxopiperidin-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(2-cyclohexylethyl)-2-oxopiperidin-4-yl]acetate
PubChem CID143875958
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Nameethyl 2-[1-(2-cyclohexylethyl)-2-oxopiperidin-4-yl]acetate
SMILESCCOC(=O)CC1CCN(CCC2CCCCC2)C(=O)C1
InChIInChI=1S/C17H29NO3/c1-2-21-17(20)13-15-9-11-18(16(19)12-15)10-8-14-6-4-3-5-7-14/h14-15H,2-13H2,1H3
InChIKeyBDRPJFVZWGSALU-UHFFFAOYSA-N
XLogP3.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(2-cyclohexylethyl)-2-oxopiperidin-4-yl]acetate?
The IUPAC name of ethyl 2-[1-(2-cyclohexylethyl)-2-oxopiperidin-4-yl]acetate (CID 143875958) is ethyl 2-[1-(2-cyclohexylethyl)-2-oxopiperidin-4-yl]acetate.
What is the SMILES notation for ethyl 2-[1-(2-cyclohexylethyl)-2-oxopiperidin-4-yl]acetate?
The canonical SMILES for ethyl 2-[1-(2-cyclohexylethyl)-2-oxopiperidin-4-yl]acetate is CCOC(=O)CC1CCN(CCC2CCCCC2)C(=O)C1.
What is the InChIKey of ethyl 2-[1-(2-cyclohexylethyl)-2-oxopiperidin-4-yl]acetate?
The InChIKey is BDRPJFVZWGSALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-2-21-17(20)13-15-9-11-18(16(19)12-15)10-8-14-6-4-3-5-7-14/h14-15H,2-13H2,1H3.
What are the key properties of ethyl 2-[1-(2-cyclohexylethyl)-2-oxopiperidin-4-yl]acetate?
ethyl 2-[1-(2-cyclohexylethyl)-2-oxopiperidin-4-yl]acetate has a molecular weight of 295.42 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(2-cyclohexylethyl)-2-oxopiperidin-4-yl]acetate is sourced from PubChem (CID 143875958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).