1-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)butan-2-yl]piperidine-2-carboxylic acid

C24H30N2O2 — CID 18521539

IUPAC1-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)butan-2-yl]piperidine-2-carboxylic acid
SMILESCC(CCN1c2ccccc2CCc2ccccc21)N1CCCCC1C(=O)O
InChIInChI=1S/C24H30N2O2/c1-18(25-16-7-6-12-23(25)24(27)28)15-17-26-21-10-4-2-8-19(21)13-14-20-9-3-5-11-22(20)26/h2-5,8-11,18,23H,6-7,12-17H2,1H3,(H,27,28)
InChIKeyBLLZLEUZTOBZRC-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.64
Rot. Bonds5

About 1-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)butan-2-yl]piperidine-2-carboxylic acid

1-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)butan-2-yl]piperidine-2-carboxylic acid (PubChem CID 18521539) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)butan-2-yl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)butan-2-yl]piperidine-2-carboxylic acid
PubChem CID18521539
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name1-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)butan-2-yl]piperidine-2-carboxylic acid
SMILESCC(CCN1c2ccccc2CCc2ccccc21)N1CCCCC1C(=O)O
InChIInChI=1S/C24H30N2O2/c1-18(25-16-7-6-12-23(25)24(27)28)15-17-26-21-10-4-2-8-19(21)13-14-20-9-3-5-11-22(20)26/h2-5,8-11,18,23H,6-7,12-17H2,1H3,(H,27,28)
InChIKeyBLLZLEUZTOBZRC-UHFFFAOYSA-N
XLogP4.64
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)butan-2-yl]piperidine-2-carboxylic acid with MolForge

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Related Compounds

1-[(E)-4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)but-2-enyl]piperidine-2-carboxylic acid;hydrochloride
CID 70009181
1-[(Z)-4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)but-2-enyl]piperidine-2-carboxylic acid;hydrochloride
CID 70010385
(3R)-1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperidine-3-carboxylic acid;hydrochloride
CID 70299237
1-[1-(2-fluorophenyl)propan-2-yl]azepane-2-carboxylic acid
CID 114834790
1-[1-(furan-2-yl)propan-2-yl]azepane-2-carboxylic acid
CID 65069664
1-[1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperidin-2-yl]ethenol
CID 20657930
1-(6,6,6-trifluorohexan-2-yl)piperidine-2-carboxylic acid
CID 116536169
1-[3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)butyl]piperidine-4-carboxylic acid
CID 69463215
1-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119356737
(2R)-1-[(1S)-1-(1H-pyrrol-2-yl)ethyl]piperidine-2-carboxylic acid
CID 97175615
1-[1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperidin-3-yl]ethanone;hydrochloride
CID 159118932
1-(3-phenylbutyl)piperidine-2-carboxylic acid
CID 65054037

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)butan-2-yl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)butan-2-yl]piperidine-2-carboxylic acid (CID 18521539) is 1-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)butan-2-yl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)butan-2-yl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)butan-2-yl]piperidine-2-carboxylic acid is CC(CCN1c2ccccc2CCc2ccccc21)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)butan-2-yl]piperidine-2-carboxylic acid?
The InChIKey is BLLZLEUZTOBZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-18(25-16-7-6-12-23(25)24(27)28)15-17-26-21-10-4-2-8-19(21)13-14-20-9-3-5-11-22(20)26/h2-5,8-11,18,23H,6-7,12-17H2,1H3,(H,27,28).
What are the key properties of 1-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)butan-2-yl]piperidine-2-carboxylic acid?
1-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)butan-2-yl]piperidine-2-carboxylic acid has a molecular weight of 378.52 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)butan-2-yl]piperidine-2-carboxylic acid is sourced from PubChem (CID 18521539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).