(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-piperidin-4-ylmethanone

C14H17FN2O2 — CID 83762011

IUPAC(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-piperidin-4-ylmethanone
SMILESO=C(C1CCNCC1)N1CCOc2cc(F)ccc21
InChIInChI=1S/C14H17FN2O2/c15-11-1-2-12-13(9-11)19-8-7-17(12)14(18)10-3-5-16-6-4-10/h1-2,9-10,16H,3-8H2
InChIKeyXEZJZSGYGGRQNV-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.55
Rot. Bonds1

About (7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-piperidin-4-ylmethanone

(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-piperidin-4-ylmethanone (PubChem CID 83762011) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is (7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-piperidin-4-ylmethanone.

Molecular Properties

Compound Name(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-piperidin-4-ylmethanone
PubChem CID83762011
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-piperidin-4-ylmethanone
SMILESO=C(C1CCNCC1)N1CCOc2cc(F)ccc21
InChIInChI=1S/C14H17FN2O2/c15-11-1-2-12-13(9-11)19-8-7-17(12)14(18)10-3-5-16-6-4-10/h1-2,9-10,16H,3-8H2
InChIKeyXEZJZSGYGGRQNV-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1,4-benzoxazin-4-yl(piperidin-4-yl)methanone;hydrochloride
CID 119293291
[(1S,3R)-3-aminocyclopentyl]-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 124700230
(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-[(2R)-oxolan-2-yl]methanone
CID 96500959
(7-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-cyclopropylmethanone
CID 82285435
2,3-dihydro-1,4-benzoxazin-4-yl(pyrrolidin-3-yl)methanone
CID 63005604
(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methanone
CID 126779738
[(2S)-7-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-[(3R)-pyrrolidin-3-yl]methanone
CID 124697728
cyclopentyl(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 110712921
5-(6-fluoro-2,3-dihydro-1,4-benzoxazine-4-carbonyl)pyrrolidin-2-one
CID 110742359
(6-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[(3R)-pyrrolidin-3-yl]methanone
CID 130345290
(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methanone
CID 138699318
6-fluoro-2,3-dihydro-1,4-benzoxazine-4-carboxylic acid
CID 91461591

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-piperidin-4-ylmethanone?
The IUPAC name of (7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-piperidin-4-ylmethanone (CID 83762011) is (7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-piperidin-4-ylmethanone.
What is the SMILES notation for (7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-piperidin-4-ylmethanone?
The canonical SMILES for (7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-piperidin-4-ylmethanone is O=C(C1CCNCC1)N1CCOc2cc(F)ccc21.
What is the InChIKey of (7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-piperidin-4-ylmethanone?
The InChIKey is XEZJZSGYGGRQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c15-11-1-2-12-13(9-11)19-8-7-17(12)14(18)10-3-5-16-6-4-10/h1-2,9-10,16H,3-8H2.
What are the key properties of (7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-piperidin-4-ylmethanone?
(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-piperidin-4-ylmethanone has a molecular weight of 264.30 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-piperidin-4-ylmethanone is sourced from PubChem (CID 83762011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).