1-[3-(1H-indol-3-yl)propylcarbamoyl]piperidine-3-carboxylic acid

C18H23N3O3 — CID 122001294

IUPAC1-[3-(1H-indol-3-yl)propylcarbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)NCCCc2c[nH]c3ccccc23)C1
InChIInChI=1S/C18H23N3O3/c22-17(23)14-6-4-10-21(12-14)18(24)19-9-3-5-13-11-20-16-8-2-1-7-15(13)16/h1-2,7-8,11,14,20H,3-6,9-10,12H2,(H,19,24)(H,22,23)
InChIKeyVZGBOIULICJQMR-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.61
Rot. Bonds5

About 1-[3-(1H-indol-3-yl)propylcarbamoyl]piperidine-3-carboxylic acid

1-[3-(1H-indol-3-yl)propylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 122001294) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[3-(1H-indol-3-yl)propylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(1H-indol-3-yl)propylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID122001294
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-[3-(1H-indol-3-yl)propylcarbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)NCCCc2c[nH]c3ccccc23)C1
InChIInChI=1S/C18H23N3O3/c22-17(23)14-6-4-10-21(12-14)18(24)19-9-3-5-13-11-20-16-8-2-1-7-15(13)16/h1-2,7-8,11,14,20H,3-6,9-10,12H2,(H,19,24)(H,22,23)
InChIKeyVZGBOIULICJQMR-UHFFFAOYSA-N
XLogP2.61
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxylic acid
CID 40816462
(3S)-3-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 40972160
N-[3-(1H-indol-3-yl)propyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 71925653
1-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122003471
1-[3-(5-fluoro-1H-indol-3-yl)propylcarbamoyl]piperidine-4-carboxylic acid
CID 122013428
1-[3-(2,4-dichlorophenyl)propylcarbamoyl]piperidine-3-carboxylic acid
CID 122004839
3-amino-N-[3-(1H-indol-3-yl)propyl]cyclohexane-1-carboxamide
CID 119778828
1-(3-phenylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63032265
4-(1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 18108564
1-(3-benzoylpiperidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 110394484
1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide
CID 43397905
1-(azepan-1-yl)-2-[2-(1H-indol-3-yl)ethylamino]ethanone
CID 109002313

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-indol-3-yl)propylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[3-(1H-indol-3-yl)propylcarbamoyl]piperidine-3-carboxylic acid (CID 122001294) is 1-[3-(1H-indol-3-yl)propylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(1H-indol-3-yl)propylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(1H-indol-3-yl)propylcarbamoyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)NCCCc2c[nH]c3ccccc23)C1.
What is the InChIKey of 1-[3-(1H-indol-3-yl)propylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is VZGBOIULICJQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c22-17(23)14-6-4-10-21(12-14)18(24)19-9-3-5-13-11-20-16-8-2-1-7-15(13)16/h1-2,7-8,11,14,20H,3-6,9-10,12H2,(H,19,24)(H,22,23).
What are the key properties of 1-[3-(1H-indol-3-yl)propylcarbamoyl]piperidine-3-carboxylic acid?
1-[3-(1H-indol-3-yl)propylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 329.40 g/mol, XLogP of 2.61, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-indol-3-yl)propylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122001294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).