1-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]piperidine-4-carboxamide

C22H25N3O2 — CID 666300

IUPAC1-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(=O)N2c3ccccc3CCc3ccccc32)CC1
InChIInChI=1S/C22H25N3O2/c23-22(27)18-11-13-24(14-12-18)15-21(26)25-19-7-3-1-5-16(19)9-10-17-6-2-4-8-20(17)25/h1-8,18H,9-15H2,(H2,23,27)
InChIKeyRIOFJLPUMJEBPH-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.65
Rot. Bonds3

About 1-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]piperidine-4-carboxamide

1-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 666300) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]piperidine-4-carboxamide
PubChem CID666300
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name1-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(=O)N2c3ccccc3CCc3ccccc32)CC1
InChIInChI=1S/C22H25N3O2/c23-22(27)18-11-13-24(14-12-18)15-21(26)25-19-7-3-1-5-16(19)9-10-17-6-2-4-8-20(17)25/h1-8,18H,9-15H2,(H2,23,27)
InChIKeyRIOFJLPUMJEBPH-UHFFFAOYSA-N
XLogP2.65
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]piperidine-4-carboxamide (CID 666300) is 1-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]piperidine-4-carboxamide is NC(=O)C1CCN(CC(=O)N2c3ccccc3CCc3ccccc32)CC1.
What is the InChIKey of 1-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is RIOFJLPUMJEBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c23-22(27)18-11-13-24(14-12-18)15-21(26)25-19-7-3-1-5-16(19)9-10-17-6-2-4-8-20(17)25/h1-8,18H,9-15H2,(H2,23,27).
What are the key properties of 1-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]piperidine-4-carboxamide?
1-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 666300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).