[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(4-cyanophenoxy)acetate

C18H22N2O4 — CID 2376311

IUPAC[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
SMILESCC[C@@H]1CCCCN1C(=O)COC(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C18H22N2O4/c1-2-15-5-3-4-10-20(15)17(21)12-24-18(22)13-23-16-8-6-14(11-19)7-9-16/h6-9,15H,2-5,10,12-13H2,1H3/t15-/m1/s1
InChIKeyNBNQNSIIBAJPLY-OAHLLOKOSA-N
MW330.38 g/mol
LogP2.27
Rot. Bonds6

About [2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(4-cyanophenoxy)acetate

[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(4-cyanophenoxy)acetate (PubChem CID 2376311) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is [2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(4-cyanophenoxy)acetate.

Molecular Properties

Compound Name[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
PubChem CID2376311
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
SMILESCC[C@@H]1CCCCN1C(=O)COC(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C18H22N2O4/c1-2-15-5-3-4-10-20(15)17(21)12-24-18(22)13-23-16-8-6-14(11-19)7-9-16/h6-9,15H,2-5,10,12-13H2,1H3/t15-/m1/s1
InChIKeyNBNQNSIIBAJPLY-OAHLLOKOSA-N
XLogP2.27
TPSA79.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-ethylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 78762202
4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethoxy]benzamide
CID 7931483
2-[4-(aminomethyl)phenoxy]-1-(2-ethylazepan-1-yl)ethanone
CID 104688680
[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 23904804
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884861
[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-methoxybenzoate
CID 2371514
1-[2-(aminomethyl)piperidin-1-yl]-2-(4-ethoxyphenoxy)ethanone;hydrochloride
CID 119468043
N-(4-cyanophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113146987
ethyl 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-2-yl]acetate
CID 70735433
1-[(2R)-2-ethylpiperidin-1-yl]-2-[4-(tetrazol-1-yl)phenoxy]ethanone
CID 95253981
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 2476351
(2-amino-2-oxoethyl) 2-(4-cyanophenoxy)acetate
CID 2098514

Frequently Asked Questions

What is the IUPAC name of [2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(4-cyanophenoxy)acetate?
The IUPAC name of [2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(4-cyanophenoxy)acetate (CID 2376311) is [2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(4-cyanophenoxy)acetate.
What is the SMILES notation for [2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(4-cyanophenoxy)acetate?
The canonical SMILES for [2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(4-cyanophenoxy)acetate is CC[C@@H]1CCCCN1C(=O)COC(=O)COc1ccc(C#N)cc1.
What is the InChIKey of [2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(4-cyanophenoxy)acetate?
The InChIKey is NBNQNSIIBAJPLY-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-2-15-5-3-4-10-20(15)17(21)12-24-18(22)13-23-16-8-6-14(11-19)7-9-16/h6-9,15H,2-5,10,12-13H2,1H3/t15-/m1/s1.
What are the key properties of [2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(4-cyanophenoxy)acetate?
[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(4-cyanophenoxy)acetate has a molecular weight of 330.38 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(4-cyanophenoxy)acetate is sourced from PubChem (CID 2376311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).