1-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid

C18H23N3O3 — CID 122003471

IUPAC1-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
SMILESCc1cccc2c(CCNC(=O)N3CCCC(C(=O)O)C3)c[nH]c12
InChIInChI=1S/C18H23N3O3/c1-12-4-2-6-15-13(10-20-16(12)15)7-8-19-18(24)21-9-3-5-14(11-21)17(22)23/h2,4,6,10,14,20H,3,5,7-9,11H2,1H3,(H,19,24)(H,22,23)
InChIKeyJIPLDBKDAXNVIH-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.53
Rot. Bonds4

About 1-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid

1-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 122003471) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID122003471
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
SMILESCc1cccc2c(CCNC(=O)N3CCCC(C(=O)O)C3)c[nH]c12
InChIInChI=1S/C18H23N3O3/c1-12-4-2-6-15-13(10-20-16(12)15)7-8-19-18(24)21-9-3-5-14(11-21)17(22)23/h2,4,6,10,14,20H,3,5,7-9,11H2,1H3,(H,19,24)(H,22,23)
InChIKeyJIPLDBKDAXNVIH-UHFFFAOYSA-N
XLogP2.53
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(7-methyl-1H-indol-3-yl)propanoyl]piperidine-3-carboxylic acid
CID 119167939
1-[3-(1H-indol-3-yl)propylcarbamoyl]piperidine-3-carboxylic acid
CID 122001294
5-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoyl]furan-2-carboxylic acid
CID 167925600
N-[2-(7-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 119322310
N'-methyl-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109444138
1-[3-(7-methyl-1H-indol-3-yl)propanoyl]piperidine-2-carboxylic acid
CID 119176343
1-[2-(4-chloro-3-methylphenyl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122014927
(3S)-3-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 40972160
4-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoylamino]butanoic acid
CID 122003467
(3S)-1-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81125511
(3S)-1-(2-methoxyethylcarbamoyl)piperidine-3-carboxylic acid
CID 28512077
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(7-methyl-1H-indol-3-yl)ethyl]acetamide
CID 119781344

Frequently Asked Questions

What is the IUPAC name of 1-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid (CID 122003471) is 1-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid is Cc1cccc2c(CCNC(=O)N3CCCC(C(=O)O)C3)c[nH]c12.
What is the InChIKey of 1-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is JIPLDBKDAXNVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12-4-2-6-15-13(10-20-16(12)15)7-8-19-18(24)21-9-3-5-14(11-21)17(22)23/h2,4,6,10,14,20H,3,5,7-9,11H2,1H3,(H,19,24)(H,22,23).
What are the key properties of 1-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid?
1-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 329.40 g/mol, XLogP of 2.53, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122003471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).