3,4-dihydro-2H-1,4-benzoxazin-7-yl-(4-fluoropiperidin-1-yl)methanone

C14H17FN2O2 — CID 164780322

IUPAC3,4-dihydro-2H-1,4-benzoxazin-7-yl-(4-fluoropiperidin-1-yl)methanone
SMILESO=C(c1ccc2c(c1)OCCN2)N1CCC(F)CC1
InChIInChI=1S/C14H17FN2O2/c15-11-3-6-17(7-4-11)14(18)10-1-2-12-13(9-10)19-8-5-16-12/h1-2,9,11,16H,3-8H2
InChIKeyIIPDQRJGFDKIKD-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.07
Rot. Bonds1

About 3,4-dihydro-2H-1,4-benzoxazin-7-yl-(4-fluoropiperidin-1-yl)methanone

3,4-dihydro-2H-1,4-benzoxazin-7-yl-(4-fluoropiperidin-1-yl)methanone (PubChem CID 164780322) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 3,4-dihydro-2H-1,4-benzoxazin-7-yl-(4-fluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-1,4-benzoxazin-7-yl-(4-fluoropiperidin-1-yl)methanone
PubChem CID164780322
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name3,4-dihydro-2H-1,4-benzoxazin-7-yl-(4-fluoropiperidin-1-yl)methanone
SMILESO=C(c1ccc2c(c1)OCCN2)N1CCC(F)CC1
InChIInChI=1S/C14H17FN2O2/c15-11-3-6-17(7-4-11)14(18)10-1-2-12-13(9-10)19-8-5-16-12/h1-2,9,11,16H,3-8H2
InChIKeyIIPDQRJGFDKIKD-UHFFFAOYSA-N
XLogP2.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[7-(4-fluoropiperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-methylbenzamide
CID 176661485
2,3-dihydro-1H-indol-6-yl(morpholin-4-yl)methanone
CID 90299623
[(3R)-3-aminopyrrolidin-1-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone;hydrochloride
CID 71643745
1,4-oxazepan-4-yl(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 62973285
pyrrolidin-1-yl(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone
CID 96599561
1-(3-oxo-4H-1,4-benzoxazine-7-carbonyl)piperidine-4-carbonitrile
CID 49063777
3,4-dihydro-2H-chromen-6-yl-(4-hydroxypiperidin-1-yl)methanone
CID 82485167
azepan-1-yl-[1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-4-yl]methanone
CID 31611555
2,3-dihydro-1,4-benzodioxin-6-yl(piperidin-1-yl)methanone
CID 2890
2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylpiperazin-1-yl)methanone chloride
CID 53314046
3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl(pyrrolidin-1-yl)methanone
CID 142494924
(3-methoxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 103533020

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-1,4-benzoxazin-7-yl-(4-fluoropiperidin-1-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-1,4-benzoxazin-7-yl-(4-fluoropiperidin-1-yl)methanone (CID 164780322) is 3,4-dihydro-2H-1,4-benzoxazin-7-yl-(4-fluoropiperidin-1-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-1,4-benzoxazin-7-yl-(4-fluoropiperidin-1-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-1,4-benzoxazin-7-yl-(4-fluoropiperidin-1-yl)methanone is O=C(c1ccc2c(c1)OCCN2)N1CCC(F)CC1.
What is the InChIKey of 3,4-dihydro-2H-1,4-benzoxazin-7-yl-(4-fluoropiperidin-1-yl)methanone?
The InChIKey is IIPDQRJGFDKIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c15-11-3-6-17(7-4-11)14(18)10-1-2-12-13(9-10)19-8-5-16-12/h1-2,9,11,16H,3-8H2.
What are the key properties of 3,4-dihydro-2H-1,4-benzoxazin-7-yl-(4-fluoropiperidin-1-yl)methanone?
3,4-dihydro-2H-1,4-benzoxazin-7-yl-(4-fluoropiperidin-1-yl)methanone has a molecular weight of 264.30 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-1,4-benzoxazin-7-yl-(4-fluoropiperidin-1-yl)methanone is sourced from PubChem (CID 164780322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).