5-(6-fluoro-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)-5-methylpiperidin-2-one

C16H19FN2O3 — CID 126807250

IUPAC5-(6-fluoro-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)-5-methylpiperidin-2-one
SMILESCC1(C(=O)N2CCOc3cccc(F)c3C2)CCC(=O)NC1
InChIInChI=1S/C16H19FN2O3/c1-16(6-5-14(20)18-10-16)15(21)19-7-8-22-13-4-2-3-12(17)11(13)9-19/h2-4H,5-10H2,1H3,(H,18,20)
InChIKeyQSXCSKYOOADZKV-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.46
Rot. Bonds1

About 5-(6-fluoro-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)-5-methylpiperidin-2-one

5-(6-fluoro-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)-5-methylpiperidin-2-one (PubChem CID 126807250) has the molecular formula C16H19FN2O3 and a molecular weight of 306.34 g/mol. Its IUPAC name is 5-(6-fluoro-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)-5-methylpiperidin-2-one.

Molecular Properties

Compound Name5-(6-fluoro-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)-5-methylpiperidin-2-one
PubChem CID126807250
Molecular FormulaC16H19FN2O3
Molecular Weight306.34 g/mol
Exact Mass306.14
IUPAC Name5-(6-fluoro-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)-5-methylpiperidin-2-one
SMILESCC1(C(=O)N2CCOc3cccc(F)c3C2)CCC(=O)NC1
InChIInChI=1S/C16H19FN2O3/c1-16(6-5-14(20)18-10-16)15(21)19-7-8-22-13-4-2-3-12(17)11(13)9-19/h2-4H,5-10H2,1H3,(H,18,20)
InChIKeyQSXCSKYOOADZKV-UHFFFAOYSA-N
XLogP1.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

6-fluoro-N-(5-methyloxolan-3-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 128917405
6-fluoro-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 132972002
(6-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-[(2R,3R)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methanone
CID 128987514
5-methyl-5-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]piperidin-2-one
CID 126830384
5-[4-(2,2-difluoro-3-hydroxypropyl)piperazine-1-carbonyl]-5-methylpiperidin-2-one
CID 126820763
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-fluoro-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 138992824
5-[1-(2-fluorophenyl)cyclopentanecarbonyl]-2-oxa-5,16-diazatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaen-17-one
CID 133066609
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-1-(6-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanone
CID 126797803
(6-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone
CID 138992941
(5R)-5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-5-methylpiperidin-2-one
CID 124885234
N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5,8-difluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 71974305
(3-methylpyrrolidin-3-yl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 55164845

Frequently Asked Questions

What is the IUPAC name of 5-(6-fluoro-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)-5-methylpiperidin-2-one?
The IUPAC name of 5-(6-fluoro-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)-5-methylpiperidin-2-one (CID 126807250) is 5-(6-fluoro-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)-5-methylpiperidin-2-one.
What is the SMILES notation for 5-(6-fluoro-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)-5-methylpiperidin-2-one?
The canonical SMILES for 5-(6-fluoro-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)-5-methylpiperidin-2-one is CC1(C(=O)N2CCOc3cccc(F)c3C2)CCC(=O)NC1.
What is the InChIKey of 5-(6-fluoro-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)-5-methylpiperidin-2-one?
The InChIKey is QSXCSKYOOADZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O3/c1-16(6-5-14(20)18-10-16)15(21)19-7-8-22-13-4-2-3-12(17)11(13)9-19/h2-4H,5-10H2,1H3,(H,18,20).
What are the key properties of 5-(6-fluoro-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)-5-methylpiperidin-2-one?
5-(6-fluoro-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)-5-methylpiperidin-2-one has a molecular weight of 306.34 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoro-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)-5-methylpiperidin-2-one is sourced from PubChem (CID 126807250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).