3-[2-oxo-2-(2-pyridin-2-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one

C19H19N3O3 — CID 70723414

IUPAC3-[2-oxo-2-(2-pyridin-2-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one
SMILESO=C(Cn1c(=O)oc2ccccc21)N1CCCCC1c1ccccn1
InChIInChI=1S/C19H19N3O3/c23-18(13-22-16-9-1-2-10-17(16)25-19(22)24)21-12-6-4-8-15(21)14-7-3-5-11-20-14/h1-3,5,7,9-11,15H,4,6,8,12-13H2
InChIKeyLFKWMHLXCUYZFV-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.74
Rot. Bonds3

About 3-[2-oxo-2-(2-pyridin-2-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one

3-[2-oxo-2-(2-pyridin-2-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one (PubChem CID 70723414) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-[2-oxo-2-(2-pyridin-2-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[2-oxo-2-(2-pyridin-2-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one
PubChem CID70723414
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name3-[2-oxo-2-(2-pyridin-2-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one
SMILESO=C(Cn1c(=O)oc2ccccc21)N1CCCCC1c1ccccn1
InChIInChI=1S/C19H19N3O3/c23-18(13-22-16-9-1-2-10-17(16)25-19(22)24)21-12-6-4-8-15(21)14-7-3-5-11-20-14/h1-3,5,7,9-11,15H,4,6,8,12-13H2
InChIKeyLFKWMHLXCUYZFV-UHFFFAOYSA-N
XLogP2.74
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 9209113
3-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 2088423
3-[2-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 125004054
3-[2-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 129428379
2-(benzotriazol-2-yl)-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone
CID 77091255
1-(2-pyridin-2-ylpiperidin-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 90649217
1-[2-oxo-2-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]ethyl]piperidine-4-carboxamide
CID 97120709
(2S)-N-(oxan-4-ylmethyl)-2-pyridin-2-ylpiperidine-1-carboxamide
CID 126442149
3-[2-oxo-2-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]-1,3-benzoxazol-2-one
CID 121195352
2-(3-methylindol-1-yl)-1-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]ethanone
CID 94363141
N'-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]cyclopentanecarbohydrazide
CID 75511657

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-(2-pyridin-2-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[2-oxo-2-(2-pyridin-2-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one (CID 70723414) is 3-[2-oxo-2-(2-pyridin-2-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[2-oxo-2-(2-pyridin-2-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[2-oxo-2-(2-pyridin-2-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one is O=C(Cn1c(=O)oc2ccccc21)N1CCCCC1c1ccccn1.
What is the InChIKey of 3-[2-oxo-2-(2-pyridin-2-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one?
The InChIKey is LFKWMHLXCUYZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c23-18(13-22-16-9-1-2-10-17(16)25-19(22)24)21-12-6-4-8-15(21)14-7-3-5-11-20-14/h1-3,5,7,9-11,15H,4,6,8,12-13H2.
What are the key properties of 3-[2-oxo-2-(2-pyridin-2-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one?
3-[2-oxo-2-(2-pyridin-2-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one has a molecular weight of 337.38 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-(2-pyridin-2-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 70723414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).