4-hydroxy-6-(5-methyl-1H-indol-2-yl)piperidine-3-carboxylic acid

C15H18N2O3 — CID 82667474

IUPAC4-hydroxy-6-(5-methyl-1H-indol-2-yl)piperidine-3-carboxylic acid
SMILESCc1ccc2[nH]c(C3CC(O)C(C(=O)O)CN3)cc2c1
InChIInChI=1S/C15H18N2O3/c1-8-2-3-11-9(4-8)5-13(17-11)12-6-14(18)10(7-16-12)15(19)20/h2-5,10,12,14,16-18H,6-7H2,1H3,(H,19,20)
InChIKeyJWZWYWINCHOLKD-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.57
Rot. Bonds2

About 4-hydroxy-6-(5-methyl-1H-indol-2-yl)piperidine-3-carboxylic acid

4-hydroxy-6-(5-methyl-1H-indol-2-yl)piperidine-3-carboxylic acid (PubChem CID 82667474) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-hydroxy-6-(5-methyl-1H-indol-2-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-6-(5-methyl-1H-indol-2-yl)piperidine-3-carboxylic acid
PubChem CID82667474
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name4-hydroxy-6-(5-methyl-1H-indol-2-yl)piperidine-3-carboxylic acid
SMILESCc1ccc2[nH]c(C3CC(O)C(C(=O)O)CN3)cc2c1
InChIInChI=1S/C15H18N2O3/c1-8-2-3-11-9(4-8)5-13(17-11)12-6-14(18)10(7-16-12)15(19)20/h2-5,10,12,14,16-18H,6-7H2,1H3,(H,19,20)
InChIKeyJWZWYWINCHOLKD-UHFFFAOYSA-N
XLogP1.57
TPSA85.35 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-aziridin-2-yl]-5-methyl-1H-indole
CID 55263404
4-hydroxy-6-(7-methyl-1H-indol-2-yl)piperidine-3-carboxylic acid
CID 82667478
4-hydroxy-6-(6-methyl-1H-indol-3-yl)piperidine-3-carboxylic acid
CID 82667470
4-hydroxy-6-(4-methoxy-3-methylphenyl)piperidine-3-carboxylic acid
CID 82667166
2-[(2R)-aziridin-2-yl]-5-methoxy-1H-indole
CID 55263506
cis-(1R,2S)-2-(1H-indol-2-yl)cyclopropane-1-carboxylic acid
CID 155903939
3-(1H-indol-2-yl)cyclopentane-1-carboxylic acid
CID 139695421
1-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]-2-phenylethanone
CID 113088043
5-methyl-N-phenyl-1H-indole-2-carboxamide
CID 3254922
4-hydroxy-6-propylpiperidine-3-carboxylic acid
CID 130146203
3-(5-methyl-1H-indol-2-yl)-3-oxopropanoic acid
CID 165356574
5-[2-(trifluoromethyl)-1H-indol-5-yl]pyrrolidine-3-carboxylic acid
CID 117480696

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-(5-methyl-1H-indol-2-yl)piperidine-3-carboxylic acid?
The IUPAC name of 4-hydroxy-6-(5-methyl-1H-indol-2-yl)piperidine-3-carboxylic acid (CID 82667474) is 4-hydroxy-6-(5-methyl-1H-indol-2-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 4-hydroxy-6-(5-methyl-1H-indol-2-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 4-hydroxy-6-(5-methyl-1H-indol-2-yl)piperidine-3-carboxylic acid is Cc1ccc2[nH]c(C3CC(O)C(C(=O)O)CN3)cc2c1.
What is the InChIKey of 4-hydroxy-6-(5-methyl-1H-indol-2-yl)piperidine-3-carboxylic acid?
The InChIKey is JWZWYWINCHOLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-8-2-3-11-9(4-8)5-13(17-11)12-6-14(18)10(7-16-12)15(19)20/h2-5,10,12,14,16-18H,6-7H2,1H3,(H,19,20).
What are the key properties of 4-hydroxy-6-(5-methyl-1H-indol-2-yl)piperidine-3-carboxylic acid?
4-hydroxy-6-(5-methyl-1H-indol-2-yl)piperidine-3-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 1.57, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-(5-methyl-1H-indol-2-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 82667474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).