1-(2-oxo-2-piperazin-1-ylethyl)-4,5-dihydro-3H-1-benzazepin-2-one;hydrochloride

C16H22ClN3O2 — CID 119403364

IUPAC1-(2-oxo-2-piperazin-1-ylethyl)-4,5-dihydro-3H-1-benzazepin-2-one;hydrochloride
SMILESCl.O=C(CN1C(=O)CCCc2ccccc21)N1CCNCC1
InChIInChI=1S/C16H21N3O2.ClH/c20-15-7-3-5-13-4-1-2-6-14(13)19(15)12-16(21)18-10-8-17-9-11-18;/h1-2,4,6,17H,3,5,7-12H2;1H
InChIKeyZYHDNRWVHVTKSZ-UHFFFAOYSA-N
MW323.82 g/mol
LogP1.21
Rot. Bonds2

About 1-(2-oxo-2-piperazin-1-ylethyl)-4,5-dihydro-3H-1-benzazepin-2-one;hydrochloride

1-(2-oxo-2-piperazin-1-ylethyl)-4,5-dihydro-3H-1-benzazepin-2-one;hydrochloride (PubChem CID 119403364) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is 1-(2-oxo-2-piperazin-1-ylethyl)-4,5-dihydro-3H-1-benzazepin-2-one;hydrochloride.

Molecular Properties

Compound Name1-(2-oxo-2-piperazin-1-ylethyl)-4,5-dihydro-3H-1-benzazepin-2-one;hydrochloride
PubChem CID119403364
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC Name1-(2-oxo-2-piperazin-1-ylethyl)-4,5-dihydro-3H-1-benzazepin-2-one;hydrochloride
SMILESCl.O=C(CN1C(=O)CCCc2ccccc21)N1CCNCC1
InChIInChI=1S/C16H21N3O2.ClH/c20-15-7-3-5-13-4-1-2-6-14(13)19(15)12-16(21)18-10-8-17-9-11-18;/h1-2,4,6,17H,3,5,7-12H2;1H
InChIKeyZYHDNRWVHVTKSZ-UHFFFAOYSA-N
XLogP1.21
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-oxo-2-piperazin-1-ylethyl)-4,5-dihydro-3H-1-benzazepin-2-one;hydrochloride with MolForge

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Related Compounds

1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 50758126
1-(2-oxo-2-piperazin-1-ylethyl)-3H-indol-2-one
CID 24696851
1-(1,4-diazepan-1-yl)-2-(2,3-dihydroindol-1-yl)ethanone;dihydrochloride
CID 119417200
sodium 2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetate
CID 143402050
N-methyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-phenylacetamide
CID 146122799
1-(1,4-diazepan-1-yl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone
CID 63153181
2-(2-oxo-3,4-dihydroquinolin-1-yl)-N-piperidin-4-ylacetamide
CID 125134274
(3S)-1-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]piperidine-3-carboxylic acid
CID 99639011
2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-prop-2-enylacetamide
CID 100831100
5-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-2,3-dihydro-1H-1,5-benzodiazepin-4-one
CID 10591516
2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-(2-piperidin-1-ylethyl)acetamide
CID 50758027
4-(2,3-dihydroindol-1-yl)-1-piperazin-1-ylbutan-1-one
CID 39284028

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-2-piperazin-1-ylethyl)-4,5-dihydro-3H-1-benzazepin-2-one;hydrochloride?
The IUPAC name of 1-(2-oxo-2-piperazin-1-ylethyl)-4,5-dihydro-3H-1-benzazepin-2-one;hydrochloride (CID 119403364) is 1-(2-oxo-2-piperazin-1-ylethyl)-4,5-dihydro-3H-1-benzazepin-2-one;hydrochloride.
What is the SMILES notation for 1-(2-oxo-2-piperazin-1-ylethyl)-4,5-dihydro-3H-1-benzazepin-2-one;hydrochloride?
The canonical SMILES for 1-(2-oxo-2-piperazin-1-ylethyl)-4,5-dihydro-3H-1-benzazepin-2-one;hydrochloride is Cl.O=C(CN1C(=O)CCCc2ccccc21)N1CCNCC1.
What is the InChIKey of 1-(2-oxo-2-piperazin-1-ylethyl)-4,5-dihydro-3H-1-benzazepin-2-one;hydrochloride?
The InChIKey is ZYHDNRWVHVTKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2.ClH/c20-15-7-3-5-13-4-1-2-6-14(13)19(15)12-16(21)18-10-8-17-9-11-18;/h1-2,4,6,17H,3,5,7-12H2;1H.
What are the key properties of 1-(2-oxo-2-piperazin-1-ylethyl)-4,5-dihydro-3H-1-benzazepin-2-one;hydrochloride?
1-(2-oxo-2-piperazin-1-ylethyl)-4,5-dihydro-3H-1-benzazepin-2-one;hydrochloride has a molecular weight of 323.82 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-2-piperazin-1-ylethyl)-4,5-dihydro-3H-1-benzazepin-2-one;hydrochloride is sourced from PubChem (CID 119403364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).