3-ethyl-6-(piperidine-3-carbonyl)-1,3-benzoxazol-2-one

C15H18N2O3 — CID 64815332

IUPAC3-ethyl-6-(piperidine-3-carbonyl)-1,3-benzoxazol-2-one
SMILESCCn1c(=O)oc2cc(C(=O)C3CCCNC3)ccc21
InChIInChI=1S/C15H18N2O3/c1-2-17-12-6-5-10(8-13(12)20-15(17)19)14(18)11-4-3-7-16-9-11/h5-6,8,11,16H,2-4,7,9H2,1H3
InChIKeyZBPGSXXZCQWOIY-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.80
Rot. Bonds3

About 3-ethyl-6-(piperidine-3-carbonyl)-1,3-benzoxazol-2-one

3-ethyl-6-(piperidine-3-carbonyl)-1,3-benzoxazol-2-one (PubChem CID 64815332) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-ethyl-6-(piperidine-3-carbonyl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-ethyl-6-(piperidine-3-carbonyl)-1,3-benzoxazol-2-one
PubChem CID64815332
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name3-ethyl-6-(piperidine-3-carbonyl)-1,3-benzoxazol-2-one
SMILESCCn1c(=O)oc2cc(C(=O)C3CCCNC3)ccc21
InChIInChI=1S/C15H18N2O3/c1-2-17-12-6-5-10(8-13(12)20-15(17)19)14(18)11-4-3-7-16-9-11/h5-6,8,11,16H,2-4,7,9H2,1H3
InChIKeyZBPGSXXZCQWOIY-UHFFFAOYSA-N
XLogP1.80
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(cyclohexanecarbonyl)-3-propyl-1,3-benzoxazol-2-one
CID 62299889
6-(cyclohexanecarbonyl)-3-methyl-1,3-benzoxazol-2-one
CID 11184510
3-ethyl-6-(2-methylpropanoyl)-1,3-benzoxazol-2-one
CID 62298450
3-ethyl-6-(2-propylpentanoyl)-1,3-benzoxazol-2-one
CID 82984978
3-ethyl-6-[hydroxy(piperidin-2-yl)methyl]-1,3-benzoxazol-2-one
CID 64867888
(4-chloro-3-methylphenyl)-piperidin-3-ylmethanone
CID 82341467
furan-3-yl(piperidin-3-yl)methanone
CID 116548121
(3-ethoxyphenyl)-piperidin-3-ylmethanone
CID 116548107
(3-bromo-4-fluorophenyl)-piperidin-3-ylmethanone
CID 79736726
N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]piperidine-3-carboxamide;dihydrochloride
CID 119869127
3-ethyl-6-sulfanyl-1,3-benzoxazol-2-one
CID 62299879
7-(piperidine-3-carbonyl)-3,4-dihydro-2H-isoquinolin-1-one
CID 64813460

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-(piperidine-3-carbonyl)-1,3-benzoxazol-2-one?
The IUPAC name of 3-ethyl-6-(piperidine-3-carbonyl)-1,3-benzoxazol-2-one (CID 64815332) is 3-ethyl-6-(piperidine-3-carbonyl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-ethyl-6-(piperidine-3-carbonyl)-1,3-benzoxazol-2-one?
The canonical SMILES for 3-ethyl-6-(piperidine-3-carbonyl)-1,3-benzoxazol-2-one is CCn1c(=O)oc2cc(C(=O)C3CCCNC3)ccc21.
What is the InChIKey of 3-ethyl-6-(piperidine-3-carbonyl)-1,3-benzoxazol-2-one?
The InChIKey is ZBPGSXXZCQWOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-2-17-12-6-5-10(8-13(12)20-15(17)19)14(18)11-4-3-7-16-9-11/h5-6,8,11,16H,2-4,7,9H2,1H3.
What are the key properties of 3-ethyl-6-(piperidine-3-carbonyl)-1,3-benzoxazol-2-one?
3-ethyl-6-(piperidine-3-carbonyl)-1,3-benzoxazol-2-one has a molecular weight of 274.32 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-(piperidine-3-carbonyl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 64815332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).