1-[3-(6-oxo-11H-benzo[c][1]benzazepin-5-yl)propyl]piperidine-3-carboxylic acid

C23H26N2O3 — CID 22102490

IUPAC1-[3-(6-oxo-11H-benzo[c][1]benzazepin-5-yl)propyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(CCCN2C(=O)c3ccccc3Cc3ccccc32)C1
InChIInChI=1S/C23H26N2O3/c26-22-20-10-3-1-7-17(20)15-18-8-2-4-11-21(18)25(22)14-6-13-24-12-5-9-19(16-24)23(27)28/h1-4,7-8,10-11,19H,5-6,9,12-16H2,(H,27,28)
InChIKeyFXYQYZNKOGACGB-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.42
Rot. Bonds5

About 1-[3-(6-oxo-11H-benzo[c][1]benzazepin-5-yl)propyl]piperidine-3-carboxylic acid

1-[3-(6-oxo-11H-benzo[c][1]benzazepin-5-yl)propyl]piperidine-3-carboxylic acid (PubChem CID 22102490) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 1-[3-(6-oxo-11H-benzo[c][1]benzazepin-5-yl)propyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(6-oxo-11H-benzo[c][1]benzazepin-5-yl)propyl]piperidine-3-carboxylic acid
PubChem CID22102490
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name1-[3-(6-oxo-11H-benzo[c][1]benzazepin-5-yl)propyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(CCCN2C(=O)c3ccccc3Cc3ccccc32)C1
InChIInChI=1S/C23H26N2O3/c26-22-20-10-3-1-7-17(20)15-18-8-2-4-11-21(18)25(22)14-6-13-24-12-5-9-19(16-24)23(27)28/h1-4,7-8,10-11,19H,5-6,9,12-16H2,(H,27,28)
InChIKeyFXYQYZNKOGACGB-UHFFFAOYSA-N
XLogP3.42
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-(6-oxo-11H-benzo[c][1]benzazepin-5-yl)propyl]piperidine-3-carboxylic acid with MolForge

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Related Compounds

(3R)-1-[3-(6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)propyl]piperidine-3-carboxylic acid
CID 22880167
(3R)-1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperidine-3-carboxylic acid;hydrochloride
CID 70299237
(3R)-1-[3-(10,12-dihydrobenzo[b][1,5]benzoxazocin-11-yl)propyl]piperidine-3-carboxylic acid
CID 22880169
(3R)-1-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propyl]piperidine-3-carboxylic acid
CID 22869120
1-[1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperidin-3-yl]ethanone;hydrochloride
CID 159118932
(3S)-1-[4-(1,3-dihydroisoindol-2-yl)butanoyl]piperidine-3-carboxylic acid
CID 126450015
(3R)-1-(4-phenoxybutyl)piperidine-3-carboxylic acid;hydrochloride
CID 67723520
1-[3-(N-phenylanilino)propyl]piperidine-3-carboxylic acid;hydrochloride
CID 70230026
2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione
CID 12612173
1-[3-[4-(6H-benzo[c][1]benzothiepin-11-ylidene)piperidin-1-yl]propyl]piperidine-3-carboxylic acid;dihydrochloride
CID 70161371
(3R)-1-[2-(2-phenoxazin-10-ylethoxy)ethyl]piperidine-3-carboxylic acid
CID 10915935
(3R)-1-[6-(N-phenylanilino)hexyl]piperidine-3-carboxylic acid;hydrochloride
CID 45261987

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-oxo-11H-benzo[c][1]benzazepin-5-yl)propyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[3-(6-oxo-11H-benzo[c][1]benzazepin-5-yl)propyl]piperidine-3-carboxylic acid (CID 22102490) is 1-[3-(6-oxo-11H-benzo[c][1]benzazepin-5-yl)propyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(6-oxo-11H-benzo[c][1]benzazepin-5-yl)propyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(6-oxo-11H-benzo[c][1]benzazepin-5-yl)propyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(CCCN2C(=O)c3ccccc3Cc3ccccc32)C1.
What is the InChIKey of 1-[3-(6-oxo-11H-benzo[c][1]benzazepin-5-yl)propyl]piperidine-3-carboxylic acid?
The InChIKey is FXYQYZNKOGACGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c26-22-20-10-3-1-7-17(20)15-18-8-2-4-11-21(18)25(22)14-6-13-24-12-5-9-19(16-24)23(27)28/h1-4,7-8,10-11,19H,5-6,9,12-16H2,(H,27,28).
What are the key properties of 1-[3-(6-oxo-11H-benzo[c][1]benzazepin-5-yl)propyl]piperidine-3-carboxylic acid?
1-[3-(6-oxo-11H-benzo[c][1]benzazepin-5-yl)propyl]piperidine-3-carboxylic acid has a molecular weight of 378.47 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-oxo-11H-benzo[c][1]benzazepin-5-yl)propyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 22102490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).