1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4,5-dihydro-3H-1-benzazepin-2-one

C17H23N3O2 — CID 50758126

IUPAC1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4,5-dihydro-3H-1-benzazepin-2-one
SMILESCN1CCN(C(=O)CN2C(=O)CCCc3ccccc32)CC1
InChIInChI=1S/C17H23N3O2/c1-18-9-11-19(12-10-18)17(22)13-20-15-7-3-2-5-14(15)6-4-8-16(20)21/h2-3,5,7H,4,6,8-13H2,1H3
InChIKeySWZZLDSRYPAQJH-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.13
Rot. Bonds2

About 1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4,5-dihydro-3H-1-benzazepin-2-one

1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4,5-dihydro-3H-1-benzazepin-2-one (PubChem CID 50758126) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4,5-dihydro-3H-1-benzazepin-2-one.

Molecular Properties

Compound Name1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4,5-dihydro-3H-1-benzazepin-2-one
PubChem CID50758126
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4,5-dihydro-3H-1-benzazepin-2-one
SMILESCN1CCN(C(=O)CN2C(=O)CCCc3ccccc32)CC1
InChIInChI=1S/C17H23N3O2/c1-18-9-11-19(12-10-18)17(22)13-20-15-7-3-2-5-14(15)6-4-8-16(20)21/h2-3,5,7H,4,6,8-13H2,1H3
InChIKeySWZZLDSRYPAQJH-UHFFFAOYSA-N
XLogP1.13
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-oxo-2-piperazin-1-ylethyl)-4,5-dihydro-3H-1-benzazepin-2-one;hydrochloride
CID 119403364
5-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-2,3-dihydro-1H-1,5-benzodiazepin-4-one
CID 10591516
N-methyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-phenylacetamide
CID 146122799
sodium 2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetate
CID 143402050
2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-(2-piperidin-1-ylethyl)acetamide
CID 50758027
1-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one
CID 22548627
N-[(1R,2R)-2-methylcyclopropyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide
CID 95702472
1-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 95290497
5-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)pentanoic acid
CID 43342822
tert-butyl 2-(2-oxo-3,4,5,6-tetrahydro-1-benzazocin-1-yl)acetate
CID 143520690
(3S)-1-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]piperidine-3-carboxylic acid
CID 99639011
1-(2-oxo-2-piperazin-1-ylethyl)-3H-indol-2-one
CID 24696851

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4,5-dihydro-3H-1-benzazepin-2-one?
The IUPAC name of 1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4,5-dihydro-3H-1-benzazepin-2-one (CID 50758126) is 1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4,5-dihydro-3H-1-benzazepin-2-one.
What is the SMILES notation for 1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4,5-dihydro-3H-1-benzazepin-2-one?
The canonical SMILES for 1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4,5-dihydro-3H-1-benzazepin-2-one is CN1CCN(C(=O)CN2C(=O)CCCc3ccccc32)CC1.
What is the InChIKey of 1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4,5-dihydro-3H-1-benzazepin-2-one?
The InChIKey is SWZZLDSRYPAQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-18-9-11-19(12-10-18)17(22)13-20-15-7-3-2-5-14(15)6-4-8-16(20)21/h2-3,5,7H,4,6,8-13H2,1H3.
What are the key properties of 1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4,5-dihydro-3H-1-benzazepin-2-one?
1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4,5-dihydro-3H-1-benzazepin-2-one has a molecular weight of 301.39 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4,5-dihydro-3H-1-benzazepin-2-one is sourced from PubChem (CID 50758126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).