5-[3-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-3-oxopropyl]piperidin-2-one

C22H24N2O2 — CID 166287044

IUPAC5-[3-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-3-oxopropyl]piperidin-2-one
SMILESO=C1CCC(CCC(=O)N2Cc3ccccc3Cc3ccccc32)CN1
InChIInChI=1S/C22H24N2O2/c25-21-11-9-16(14-23-21)10-12-22(26)24-15-19-7-2-1-5-17(19)13-18-6-3-4-8-20(18)24/h1-8,16H,9-15H2,(H,23,25)
InChIKeySJOBNWGRSYCMDM-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.43
Rot. Bonds3

About 5-[3-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-3-oxopropyl]piperidin-2-one

5-[3-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-3-oxopropyl]piperidin-2-one (PubChem CID 166287044) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 5-[3-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-3-oxopropyl]piperidin-2-one.

Molecular Properties

Compound Name5-[3-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-3-oxopropyl]piperidin-2-one
PubChem CID166287044
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name5-[3-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-3-oxopropyl]piperidin-2-one
SMILESO=C1CCC(CCC(=O)N2Cc3ccccc3Cc3ccccc32)CN1
InChIInChI=1S/C22H24N2O2/c25-21-11-9-16(14-23-21)10-12-22(26)24-15-19-7-2-1-5-17(19)13-18-6-3-4-8-20(18)24/h1-8,16H,9-15H2,(H,23,25)
InChIKeySJOBNWGRSYCMDM-UHFFFAOYSA-N
XLogP3.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-3-oxopropyl]piperidin-2-one?
The IUPAC name of 5-[3-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-3-oxopropyl]piperidin-2-one (CID 166287044) is 5-[3-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-3-oxopropyl]piperidin-2-one.
What is the SMILES notation for 5-[3-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-3-oxopropyl]piperidin-2-one?
The canonical SMILES for 5-[3-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-3-oxopropyl]piperidin-2-one is O=C1CCC(CCC(=O)N2Cc3ccccc3Cc3ccccc32)CN1.
What is the InChIKey of 5-[3-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-3-oxopropyl]piperidin-2-one?
The InChIKey is SJOBNWGRSYCMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c25-21-11-9-16(14-23-21)10-12-22(26)24-15-19-7-2-1-5-17(19)13-18-6-3-4-8-20(18)24/h1-8,16H,9-15H2,(H,23,25).
What are the key properties of 5-[3-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-3-oxopropyl]piperidin-2-one?
5-[3-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-3-oxopropyl]piperidin-2-one has a molecular weight of 348.45 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-3-oxopropyl]piperidin-2-one is sourced from PubChem (CID 166287044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).