3,5-dihydro-2H-1,4-benzoxazepin-4-yl-(4-methylpiperidin-1-yl)methanone

C16H22N2O2 — CID 116655908

IUPAC3,5-dihydro-2H-1,4-benzoxazepin-4-yl-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)N2CCOc3ccccc3C2)CC1
InChIInChI=1S/C16H22N2O2/c1-13-6-8-17(9-7-13)16(19)18-10-11-20-15-5-3-2-4-14(15)12-18/h2-5,13H,6-12H2,1H3
InChIKeyRNGMFWKGFJLXHK-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.73
Rot. Bonds

About 3,5-dihydro-2H-1,4-benzoxazepin-4-yl-(4-methylpiperidin-1-yl)methanone

3,5-dihydro-2H-1,4-benzoxazepin-4-yl-(4-methylpiperidin-1-yl)methanone (PubChem CID 116655908) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3,5-dihydro-2H-1,4-benzoxazepin-4-yl-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name3,5-dihydro-2H-1,4-benzoxazepin-4-yl-(4-methylpiperidin-1-yl)methanone
PubChem CID116655908
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3,5-dihydro-2H-1,4-benzoxazepin-4-yl-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)N2CCOc3ccccc3C2)CC1
InChIInChI=1S/C16H22N2O2/c1-13-6-8-17(9-7-13)16(19)18-10-11-20-15-5-3-2-4-14(15)12-18/h2-5,13H,6-12H2,1H3
InChIKeyRNGMFWKGFJLXHK-UHFFFAOYSA-N
XLogP2.73
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)cyclopentane-1-carboxylic acid
CID 103550512
2-[3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl(methyl)amino]-2-methylpropanoic acid
CID 63190674
3,5-dihydro-2H-1,4-benzoxazepin-4-yl-(3-methylimidazol-3-ium-1-yl)methanone
CID 63192799
ethyl 3,5-dihydro-2H-1,4-benzoxazepine-4-carboxylate
CID 61068779
2-bromo-1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one
CID 107904804
3,5-dihydro-2H-1,4-benzoxazepin-4-yl-(2-hydroxyphenyl)methanone
CID 61149413
(2-aminocyclopentyl)-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone
CID 64824026
[(1R,3S)-3-aminocyclopentyl]-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone
CID 124515765
3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[(2S)-1-[(1R,2R)-2-methylcyclopropanecarbonyl]piperidin-2-yl]methanone
CID 124742456
3-[3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl(ethyl)amino]propanoic acid
CID 63190578
N'-amino-3,5-dihydro-2H-1,4-benzoxazepine-4-carboximidamide
CID 77054123
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)cyclopentane-1-carboxylic acid
CID 55160402

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydro-2H-1,4-benzoxazepin-4-yl-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of 3,5-dihydro-2H-1,4-benzoxazepin-4-yl-(4-methylpiperidin-1-yl)methanone (CID 116655908) is 3,5-dihydro-2H-1,4-benzoxazepin-4-yl-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for 3,5-dihydro-2H-1,4-benzoxazepin-4-yl-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for 3,5-dihydro-2H-1,4-benzoxazepin-4-yl-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)N2CCOc3ccccc3C2)CC1.
What is the InChIKey of 3,5-dihydro-2H-1,4-benzoxazepin-4-yl-(4-methylpiperidin-1-yl)methanone?
The InChIKey is RNGMFWKGFJLXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-13-6-8-17(9-7-13)16(19)18-10-11-20-15-5-3-2-4-14(15)12-18/h2-5,13H,6-12H2,1H3.
What are the key properties of 3,5-dihydro-2H-1,4-benzoxazepin-4-yl-(4-methylpiperidin-1-yl)methanone?
3,5-dihydro-2H-1,4-benzoxazepin-4-yl-(4-methylpiperidin-1-yl)methanone has a molecular weight of 274.36 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydro-2H-1,4-benzoxazepin-4-yl-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 116655908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).