1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]prop-2-en-1-one

C15H15FN2O2 — CID 127267392

IUPAC1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C15H15FN2O2/c1-2-14(19)18-7-5-10(6-8-18)15-12-4-3-11(16)9-13(12)20-17-15/h2-4,9-10H,1,5-8H2
InChIKeyUWGFCTZUCVODDF-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.86
Rot. Bonds2

About 1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]prop-2-en-1-one

1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]prop-2-en-1-one (PubChem CID 127267392) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]prop-2-en-1-one
PubChem CID127267392
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C15H15FN2O2/c1-2-14(19)18-7-5-10(6-8-18)15-12-4-3-11(16)9-13(12)20-17-15/h2-4,9-10H,1,5-8H2
InChIKeyUWGFCTZUCVODDF-UHFFFAOYSA-N
XLogP2.86
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]but-2-enedioic acid
CID 67070819
3-(1-chloropiperidin-4-yl)-6-fluoro-1,2-benzoxazole
CID 89080294
4-(6-fluoro-1,2-benzoxazol-3-yl)-N-[6-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]amino]hexyl]piperidine-1-carboxamide
CID 59651081
5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-5-oxopentanoic acid
CID 45495525
[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-[4-fluoro-2-(trifluoromethyl)phenyl]methanone
CID 66549068
[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methanone
CID 46972664
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanone
CID 71708698
bis(but-2-enedioic acid);6-fluoro-3-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]-1,2-benzoxazole
CID 67070997
(9E)-1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]octadeca-9,12-dien-1-one
CID 175098735
5-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-oxopropyl]-1H-pyridin-2-one
CID 136543696
(3R)-1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-pyrazol-1-ylbutan-1-one
CID 92581702
N-tert-butyl-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]acetamide
CID 155980716

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]prop-2-en-1-one (CID 127267392) is 1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCC(c2noc3cc(F)ccc23)CC1.
What is the InChIKey of 1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]prop-2-en-1-one?
The InChIKey is UWGFCTZUCVODDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-2-14(19)18-7-5-10(6-8-18)15-12-4-3-11(16)9-13(12)20-17-15/h2-4,9-10H,1,5-8H2.
What are the key properties of 1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]prop-2-en-1-one?
1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]prop-2-en-1-one has a molecular weight of 274.30 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 127267392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).