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

C15H16N2O3 — CID 43187100

IUPAC1-(1H-indole-2-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C15H16N2O3/c18-14(17-8-4-3-7-13(17)15(19)20)12-9-10-5-1-2-6-11(10)16-12/h1-2,5-6,9,13,16H,3-4,7-8H2,(H,19,20)
InChIKeyUOZYGXLSJHWDOC-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.25
Rot. Bonds2

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

1-(1H-indole-2-carbonyl)piperidine-2-carboxylic acid (PubChem CID 43187100) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-(1H-indole-2-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1H-indole-2-carbonyl)piperidine-2-carboxylic acid
PubChem CID43187100
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name1-(1H-indole-2-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C15H16N2O3/c18-14(17-8-4-3-7-13(17)15(19)20)12-9-10-5-1-2-6-11(10)16-12/h1-2,5-6,9,13,16H,3-4,7-8H2,(H,19,20)
InChIKeyUOZYGXLSJHWDOC-UHFFFAOYSA-N
XLogP2.25
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2S)-1-(1H-indole-2-carbonyl)piperidine-2-carboxylate
CID 93317948
(2-bromopyrrolidin-1-yl)-(1H-indol-2-yl)methanone
CID 90014378
(2S)-N,N-diethyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide
CID 95196207
(2S)-4-hydroxy-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 61151803
1H-indol-2-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 56820473
(2R)-1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 119372066
(2R)-1-(1-benzothiophene-2-carbonyl)piperidine-2-carboxylic acid
CID 51888539
(2S)-1-(1H-indole-2-carbonyl)-N-[(3S)-2-methyl-5-oxooxolan-3-yl]pyrrolidine-2-carboxamide
CID 58982544
(2S)-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 10508341
cyclobutyl(1H-indol-2-yl)methanone
CID 129170874
[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 41141951
1-(6-methoxy-1H-indole-2-carbonyl)-N-methylpiperidine-2-carboxamide
CID 51078250

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indole-2-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(1H-indole-2-carbonyl)piperidine-2-carboxylic acid (CID 43187100) is 1-(1H-indole-2-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(1H-indole-2-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(1H-indole-2-carbonyl)piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of 1-(1H-indole-2-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is UOZYGXLSJHWDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c18-14(17-8-4-3-7-13(17)15(19)20)12-9-10-5-1-2-6-11(10)16-12/h1-2,5-6,9,13,16H,3-4,7-8H2,(H,19,20).
What are the key properties of 1-(1H-indole-2-carbonyl)piperidine-2-carboxylic acid?
1-(1H-indole-2-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indole-2-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 43187100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).