6-fluoro-4-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-1,4-benzoxazin-3-one

C16H21FN2O2 — CID 97206499

IUPAC6-fluoro-4-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-1,4-benzoxazin-3-one
SMILESCN1CCCC[C@@H]1CCN1C(=O)COc2ccc(F)cc21
InChIInChI=1S/C16H21FN2O2/c1-18-8-3-2-4-13(18)7-9-19-14-10-12(17)5-6-15(14)21-11-16(19)20/h5-6,10,13H,2-4,7-9,11H2,1H3/t13-/m1/s1
InChIKeyHKRGFELFWSSRSJ-CYBMUJFWSA-N
MW292.35 g/mol
LogP2.43
Rot. Bonds3

About 6-fluoro-4-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-1,4-benzoxazin-3-one

6-fluoro-4-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-1,4-benzoxazin-3-one (PubChem CID 97206499) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 6-fluoro-4-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-fluoro-4-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-1,4-benzoxazin-3-one
PubChem CID97206499
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name6-fluoro-4-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-1,4-benzoxazin-3-one
SMILESCN1CCCC[C@@H]1CCN1C(=O)COc2ccc(F)cc21
InChIInChI=1S/C16H21FN2O2/c1-18-8-3-2-4-13(18)7-9-19-14-10-12(17)5-6-15(14)21-11-16(19)20/h5-6,10,13H,2-4,7-9,11H2,1H3/t13-/m1/s1
InChIKeyHKRGFELFWSSRSJ-CYBMUJFWSA-N
XLogP2.43
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-4-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-1,4-benzoxazin-3-one with MolForge

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Related Compounds

6-amino-4-[2-(1-methylpiperidin-2-yl)ethyl]-1,4-benzoxazin-3-one
CID 107912116
4-ethyl-6-fluoro-1,4-benzoxazin-3-one
CID 59525216
1-[2-(1-methylpiperidin-2-yl)ethyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one
CID 107913495
methyl 2-(6-fluoro-3-oxo-1,4-benzoxazin-4-yl)acetate
CID 26434581
4-(1,4-dioxan-2-ylmethyl)-6-fluoro-1,4-benzoxazin-3-one
CID 72938107
3-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazine-2,6-dione
CID 114015239
6-bromo-1-[2-(1-methylpiperidin-2-yl)ethyl]indole-2,3-dione
CID 107912778
4-(2-aminoethyl)-6-methyl-1,4-benzoxazin-3-one
CID 82142296
4-[3-(3-butylazetidin-1-yl)-2-methylpropyl]-6-fluoro-1,4-benzoxazin-3-one
CID 68913830
4-fluoro-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]aniline
CID 79148324
7-fluoro-4-hexyl-1,4-benzoxazin-3-one
CID 53364243
6-bromo-4-propyl-1,4-benzoxazin-3-one
CID 70699818

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-1,4-benzoxazin-3-one?
The IUPAC name of 6-fluoro-4-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-1,4-benzoxazin-3-one (CID 97206499) is 6-fluoro-4-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-fluoro-4-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-1,4-benzoxazin-3-one?
The canonical SMILES for 6-fluoro-4-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-1,4-benzoxazin-3-one is CN1CCCC[C@@H]1CCN1C(=O)COc2ccc(F)cc21.
What is the InChIKey of 6-fluoro-4-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-1,4-benzoxazin-3-one?
The InChIKey is HKRGFELFWSSRSJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-18-8-3-2-4-13(18)7-9-19-14-10-12(17)5-6-15(14)21-11-16(19)20/h5-6,10,13H,2-4,7-9,11H2,1H3/t13-/m1/s1.
What are the key properties of 6-fluoro-4-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-1,4-benzoxazin-3-one?
6-fluoro-4-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-1,4-benzoxazin-3-one has a molecular weight of 292.35 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-1,4-benzoxazin-3-one is sourced from PubChem (CID 97206499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).