1-(1-oxo-1-piperidin-1-ylbutan-2-yl)-4,5-dihydro-3H-1-benzazepin-2-one

C19H26N2O2 — CID 50758044

IUPAC1-(1-oxo-1-piperidin-1-ylbutan-2-yl)-4,5-dihydro-3H-1-benzazepin-2-one
SMILESCCC(C(=O)N1CCCCC1)N1C(=O)CCCc2ccccc21
InChIInChI=1S/C19H26N2O2/c1-2-16(19(23)20-13-6-3-7-14-20)21-17-11-5-4-9-15(17)10-8-12-18(21)22/h4-5,9,11,16H,2-3,6-8,10,12-14H2,1H3
InChIKeyWMAWFKQXOJXJNO-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.15
Rot. Bonds3

About 1-(1-oxo-1-piperidin-1-ylbutan-2-yl)-4,5-dihydro-3H-1-benzazepin-2-one

1-(1-oxo-1-piperidin-1-ylbutan-2-yl)-4,5-dihydro-3H-1-benzazepin-2-one (PubChem CID 50758044) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-(1-oxo-1-piperidin-1-ylbutan-2-yl)-4,5-dihydro-3H-1-benzazepin-2-one.

Molecular Properties

Compound Name1-(1-oxo-1-piperidin-1-ylbutan-2-yl)-4,5-dihydro-3H-1-benzazepin-2-one
PubChem CID50758044
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name1-(1-oxo-1-piperidin-1-ylbutan-2-yl)-4,5-dihydro-3H-1-benzazepin-2-one
SMILESCCC(C(=O)N1CCCCC1)N1C(=O)CCCc2ccccc21
InChIInChI=1S/C19H26N2O2/c1-2-16(19(23)20-13-6-3-7-14-20)21-17-11-5-4-9-15(17)10-8-12-18(21)22/h4-5,9,11,16H,2-3,6-8,10,12-14H2,1H3
InChIKeyWMAWFKQXOJXJNO-UHFFFAOYSA-N
XLogP3.15
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(1-oxo-1-piperidin-1-ylbutan-2-yl)-4,5-dihydro-3H-1-benzazepin-2-one with MolForge

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Related Compounds

1-[1-(azepan-1-yl)-1-oxobutan-2-yl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 46276095
1-[1-(azepan-1-yl)-1-oxopropan-2-yl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 46276085
N-[(2-chlorophenyl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide
CID 50758024
(2S)-N-benzyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide
CID 92742614
N-butyl-N-methyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide
CID 50758151
(2R)-N-(3-ethoxypropyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide
CID 92886750
(2S)-N-(furan-2-ylmethyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide
CID 92864267
1-(1-aminopentan-3-yl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 43329359
(2S)-N-[(3-methoxyphenyl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide
CID 92742616
1-(3-oxopentan-2-yl)-3,4-dihydroquinolin-2-one
CID 64865861
2-(3,4-dihydro-2H-quinolin-1-yl)butanamide
CID 62901418
1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-2-one;1-propan-2-yl-3H-indol-2-one
CID 176690662

Frequently Asked Questions

What is the IUPAC name of 1-(1-oxo-1-piperidin-1-ylbutan-2-yl)-4,5-dihydro-3H-1-benzazepin-2-one?
The IUPAC name of 1-(1-oxo-1-piperidin-1-ylbutan-2-yl)-4,5-dihydro-3H-1-benzazepin-2-one (CID 50758044) is 1-(1-oxo-1-piperidin-1-ylbutan-2-yl)-4,5-dihydro-3H-1-benzazepin-2-one.
What is the SMILES notation for 1-(1-oxo-1-piperidin-1-ylbutan-2-yl)-4,5-dihydro-3H-1-benzazepin-2-one?
The canonical SMILES for 1-(1-oxo-1-piperidin-1-ylbutan-2-yl)-4,5-dihydro-3H-1-benzazepin-2-one is CCC(C(=O)N1CCCCC1)N1C(=O)CCCc2ccccc21.
What is the InChIKey of 1-(1-oxo-1-piperidin-1-ylbutan-2-yl)-4,5-dihydro-3H-1-benzazepin-2-one?
The InChIKey is WMAWFKQXOJXJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-2-16(19(23)20-13-6-3-7-14-20)21-17-11-5-4-9-15(17)10-8-12-18(21)22/h4-5,9,11,16H,2-3,6-8,10,12-14H2,1H3.
What are the key properties of 1-(1-oxo-1-piperidin-1-ylbutan-2-yl)-4,5-dihydro-3H-1-benzazepin-2-one?
1-(1-oxo-1-piperidin-1-ylbutan-2-yl)-4,5-dihydro-3H-1-benzazepin-2-one has a molecular weight of 314.43 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxo-1-piperidin-1-ylbutan-2-yl)-4,5-dihydro-3H-1-benzazepin-2-one is sourced from PubChem (CID 50758044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).