4-(1H-indol-5-yl)-6-oxopiperidine-3-carboxylic acid

C14H14N2O3 — CID 82623597

IUPAC4-(1H-indol-5-yl)-6-oxopiperidine-3-carboxylic acid
SMILESO=C1CC(c2ccc3[nH]ccc3c2)C(C(=O)O)CN1
InChIInChI=1S/C14H14N2O3/c17-13-6-10(11(7-16-13)14(18)19)8-1-2-12-9(5-8)3-4-15-12/h1-5,10-11,15H,6-7H2,(H,16,17)(H,18,19)
InChIKeyVMSRJXJVTRJYDF-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.47
Rot. Bonds2

About 4-(1H-indol-5-yl)-6-oxopiperidine-3-carboxylic acid

4-(1H-indol-5-yl)-6-oxopiperidine-3-carboxylic acid (PubChem CID 82623597) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 4-(1H-indol-5-yl)-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name4-(1H-indol-5-yl)-6-oxopiperidine-3-carboxylic acid
PubChem CID82623597
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name4-(1H-indol-5-yl)-6-oxopiperidine-3-carboxylic acid
SMILESO=C1CC(c2ccc3[nH]ccc3c2)C(C(=O)O)CN1
InChIInChI=1S/C14H14N2O3/c17-13-6-10(11(7-16-13)14(18)19)8-1-2-12-9(5-8)3-4-15-12/h1-5,10-11,15H,6-7H2,(H,16,17)(H,18,19)
InChIKeyVMSRJXJVTRJYDF-UHFFFAOYSA-N
XLogP1.47
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-(1H-indol-5-yl)-N-methoxy-N-methylcyclopropane-1-carboxamide
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5-(1H-indol-5-ylmethylamino)piperidin-2-one
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[4-(1H-indol-5-yl)-6-methylpiperidin-3-yl]methanamine
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cyclohexane;5-cyclopropyl-1H-indole;(2S)-oxolane-2-carboxamide
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N-(1H-indol-5-yl)-5-oxopyrrolidine-2-carboxamide
CID 110744978
5-(1H-indol-6-yl)pyrrolidine-3-carboxylic acid
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3-(1H-indol-5-yl)-3-oxopropanoic acid
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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-5-yl)-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of 4-(1H-indol-5-yl)-6-oxopiperidine-3-carboxylic acid (CID 82623597) is 4-(1H-indol-5-yl)-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for 4-(1H-indol-5-yl)-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for 4-(1H-indol-5-yl)-6-oxopiperidine-3-carboxylic acid is O=C1CC(c2ccc3[nH]ccc3c2)C(C(=O)O)CN1.
What is the InChIKey of 4-(1H-indol-5-yl)-6-oxopiperidine-3-carboxylic acid?
The InChIKey is VMSRJXJVTRJYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c17-13-6-10(11(7-16-13)14(18)19)8-1-2-12-9(5-8)3-4-15-12/h1-5,10-11,15H,6-7H2,(H,16,17)(H,18,19).
What are the key properties of 4-(1H-indol-5-yl)-6-oxopiperidine-3-carboxylic acid?
4-(1H-indol-5-yl)-6-oxopiperidine-3-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of 1.47, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-5-yl)-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 82623597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).