4-hydroxy-1-(1H-indole-2-carbonyl)piperidine-4-carboxylic acid

C15H16N2O4 — CID 119251399

IUPAC4-hydroxy-1-(1H-indole-2-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(c1cc2ccccc2[nH]1)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C15H16N2O4/c18-13(12-9-10-3-1-2-4-11(10)16-12)17-7-5-15(21,6-8-17)14(19)20/h1-4,9,16,21H,5-8H2,(H,19,20)
InChIKeyYOKKRVSBFWSQHL-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.22
Rot. Bonds2

About 4-hydroxy-1-(1H-indole-2-carbonyl)piperidine-4-carboxylic acid

4-hydroxy-1-(1H-indole-2-carbonyl)piperidine-4-carboxylic acid (PubChem CID 119251399) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 4-hydroxy-1-(1H-indole-2-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(1H-indole-2-carbonyl)piperidine-4-carboxylic acid
PubChem CID119251399
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name4-hydroxy-1-(1H-indole-2-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(c1cc2ccccc2[nH]1)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C15H16N2O4/c18-13(12-9-10-3-1-2-4-11(10)16-12)17-7-5-15(21,6-8-17)14(19)20/h1-4,9,16,21H,5-8H2,(H,19,20)
InChIKeyYOKKRVSBFWSQHL-UHFFFAOYSA-N
XLogP1.22
TPSA93.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 55155671
(4,4-difluoropiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 68887703
1H-indol-2-yl(morpholin-4-yl)methanone
CID 825286
1H-indol-2-yl(piperazin-1-yl)methanone;hydrochloride
CID 47003021
[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(1H-indol-2-yl)methanone
CID 95718598
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
1H-indol-2-yl-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 54975611
4-hydroxy-1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperidine-4-carboxylic acid
CID 166224998
[3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 138999905
4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 34224299
furan-3-yl-[4-(1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 33018299
(4-benzhydrylpiperazin-1-yl)-(1H-indol-2-yl)methanone
CID 4231166

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(1H-indole-2-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(1H-indole-2-carbonyl)piperidine-4-carboxylic acid (CID 119251399) is 4-hydroxy-1-(1H-indole-2-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(1H-indole-2-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(1H-indole-2-carbonyl)piperidine-4-carboxylic acid is O=C(c1cc2ccccc2[nH]1)N1CCC(O)(C(=O)O)CC1.
What is the InChIKey of 4-hydroxy-1-(1H-indole-2-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is YOKKRVSBFWSQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c18-13(12-9-10-3-1-2-4-11(10)16-12)17-7-5-15(21,6-8-17)14(19)20/h1-4,9,16,21H,5-8H2,(H,19,20).
What are the key properties of 4-hydroxy-1-(1H-indole-2-carbonyl)piperidine-4-carboxylic acid?
4-hydroxy-1-(1H-indole-2-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of 1.22, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(1H-indole-2-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 119251399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).