1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4-methylpiperidin-1-yl)ethanone

C22H26N2O — CID 738371

IUPAC1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(CC(=O)N2c3ccccc3CCc3ccccc32)CC1
InChIInChI=1S/C22H26N2O/c1-17-12-14-23(15-13-17)16-22(25)24-20-8-4-2-6-18(20)10-11-19-7-3-5-9-21(19)24/h2-9,17H,10-16H2,1H3
InChIKeyZHWQVVWSFHSSAO-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.18
Rot. Bonds2

About 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4-methylpiperidin-1-yl)ethanone

1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4-methylpiperidin-1-yl)ethanone (PubChem CID 738371) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4-methylpiperidin-1-yl)ethanone
PubChem CID738371
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(CC(=O)N2c3ccccc3CCc3ccccc32)CC1
InChIInChI=1S/C22H26N2O/c1-17-12-14-23(15-13-17)16-22(25)24-20-8-4-2-6-18(20)10-11-19-7-3-5-9-21(19)24/h2-9,17H,10-16H2,1H3
InChIKeyZHWQVVWSFHSSAO-UHFFFAOYSA-N
XLogP4.18
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4-methylpiperidin-1-yl)ethanone (CID 738371) is 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4-methylpiperidin-1-yl)ethanone is CC1CCN(CC(=O)N2c3ccccc3CCc3ccccc32)CC1.
What is the InChIKey of 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is ZHWQVVWSFHSSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-17-12-14-23(15-13-17)16-22(25)24-20-8-4-2-6-18(20)10-11-19-7-3-5-9-21(19)24/h2-9,17H,10-16H2,1H3.
What are the key properties of 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4-methylpiperidin-1-yl)ethanone?
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 334.46 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 738371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).