3-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one

C16H20N2O3 — CID 2088423

IUPAC3-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
SMILESCC[C@H]1CCCCN1C(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C16H20N2O3/c1-2-12-7-5-6-10-17(12)15(19)11-18-13-8-3-4-9-14(13)21-16(18)20/h3-4,8-9,12H,2,5-7,10-11H2,1H3/t12-/m0/s1
InChIKeyPDIAAUHHSQSOIN-LBPRGKRZSA-N
MW288.35 g/mol
LogP2.39
Rot. Bonds3

About 3-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one

3-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one (PubChem CID 2088423) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
PubChem CID2088423
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
SMILESCC[C@H]1CCCCN1C(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C16H20N2O3/c1-2-12-7-5-6-10-17(12)15(19)11-18-13-8-3-4-9-14(13)21-16(18)20/h3-4,8-9,12H,2,5-7,10-11H2,1H3/t12-/m0/s1
InChIKeyPDIAAUHHSQSOIN-LBPRGKRZSA-N
XLogP2.39
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-oxo-2-[(2R)-2-pyridin-2-ylpiperidin-1-yl]ethyl]-1,3-benzoxazol-2-one
CID 95862581
3-[2-oxo-2-(2-pyridin-2-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one
CID 70723414
3-[2-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 129428379
3-[2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 9209113
6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 92667389
3-[2-oxo-2-[4-phenyl-2-(pyrrolidin-1-ylmethyl)piperazin-1-yl]ethyl]-1,3-benzoxazol-2-one
CID 44587037
2-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 682215
N'-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]cyclopentanecarbohydrazide
CID 75511657
3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one
CID 2093488
3-[2-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 125004054
3-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 35609884
3-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 79029576

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one (CID 2088423) is 3-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one is CC[C@H]1CCCCN1C(=O)Cn1c(=O)oc2ccccc21.
What is the InChIKey of 3-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one?
The InChIKey is PDIAAUHHSQSOIN-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-2-12-7-5-6-10-17(12)15(19)11-18-13-8-3-4-9-14(13)21-16(18)20/h3-4,8-9,12H,2,5-7,10-11H2,1H3/t12-/m0/s1.
What are the key properties of 3-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one?
3-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one has a molecular weight of 288.35 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 2088423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).