5-hydroxy-1-(6-phenyl-1H-indole-2-carbonyl)piperidine-3-carboxylic acid

C21H20N2O4 — CID 167843616

IUPAC5-hydroxy-1-(6-phenyl-1H-indole-2-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CC(O)CN(C(=O)c2cc3ccc(-c4ccccc4)cc3[nH]2)C1
InChIInChI=1S/C21H20N2O4/c24-17-8-16(21(26)27)11-23(12-17)20(25)19-10-15-7-6-14(9-18(15)22-19)13-4-2-1-3-5-13/h1-7,9-10,16-17,22,24H,8,11-12H2,(H,26,27)
InChIKeyFKQCRIRIQQYRLL-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.74
Rot. Bonds3

About 5-hydroxy-1-(6-phenyl-1H-indole-2-carbonyl)piperidine-3-carboxylic acid

5-hydroxy-1-(6-phenyl-1H-indole-2-carbonyl)piperidine-3-carboxylic acid (PubChem CID 167843616) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 5-hydroxy-1-(6-phenyl-1H-indole-2-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-1-(6-phenyl-1H-indole-2-carbonyl)piperidine-3-carboxylic acid
PubChem CID167843616
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name5-hydroxy-1-(6-phenyl-1H-indole-2-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CC(O)CN(C(=O)c2cc3ccc(-c4ccccc4)cc3[nH]2)C1
InChIInChI=1S/C21H20N2O4/c24-17-8-16(21(26)27)11-23(12-17)20(25)19-10-15-7-6-14(9-18(15)22-19)13-4-2-1-3-5-13/h1-7,9-10,16-17,22,24H,8,11-12H2,(H,26,27)
InChIKeyFKQCRIRIQQYRLL-UHFFFAOYSA-N
XLogP2.74
TPSA93.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-(6-phenyl-1H-indole-2-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 5-hydroxy-1-(6-phenyl-1H-indole-2-carbonyl)piperidine-3-carboxylic acid (CID 167843616) is 5-hydroxy-1-(6-phenyl-1H-indole-2-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 5-hydroxy-1-(6-phenyl-1H-indole-2-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 5-hydroxy-1-(6-phenyl-1H-indole-2-carbonyl)piperidine-3-carboxylic acid is O=C(O)C1CC(O)CN(C(=O)c2cc3ccc(-c4ccccc4)cc3[nH]2)C1.
What is the InChIKey of 5-hydroxy-1-(6-phenyl-1H-indole-2-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is FKQCRIRIQQYRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c24-17-8-16(21(26)27)11-23(12-17)20(25)19-10-15-7-6-14(9-18(15)22-19)13-4-2-1-3-5-13/h1-7,9-10,16-17,22,24H,8,11-12H2,(H,26,27).
What are the key properties of 5-hydroxy-1-(6-phenyl-1H-indole-2-carbonyl)piperidine-3-carboxylic acid?
5-hydroxy-1-(6-phenyl-1H-indole-2-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 364.40 g/mol, XLogP of 2.74, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-(6-phenyl-1H-indole-2-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 167843616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).