1-(2-methyl-1H-indole-3-carbonyl)piperidine-3-carboxylic acid

C16H18N2O3 — CID 43355842

IUPAC1-(2-methyl-1H-indole-3-carbonyl)piperidine-3-carboxylic acid
SMILESCc1[nH]c2ccccc2c1C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C16H18N2O3/c1-10-14(12-6-2-3-7-13(12)17-10)15(19)18-8-4-5-11(9-18)16(20)21/h2-3,6-7,11,17H,4-5,8-9H2,1H3,(H,20,21)
InChIKeyAURZXKGKQKOTBH-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.41
Rot. Bonds2

About 1-(2-methyl-1H-indole-3-carbonyl)piperidine-3-carboxylic acid

1-(2-methyl-1H-indole-3-carbonyl)piperidine-3-carboxylic acid (PubChem CID 43355842) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-(2-methyl-1H-indole-3-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methyl-1H-indole-3-carbonyl)piperidine-3-carboxylic acid
PubChem CID43355842
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name1-(2-methyl-1H-indole-3-carbonyl)piperidine-3-carboxylic acid
SMILESCc1[nH]c2ccccc2c1C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C16H18N2O3/c1-10-14(12-6-2-3-7-13(12)17-10)15(19)18-8-4-5-11(9-18)16(20)21/h2-3,6-7,11,17H,4-5,8-9H2,1H3,(H,20,21)
InChIKeyAURZXKGKQKOTBH-UHFFFAOYSA-N
XLogP2.41
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-methyl-1H-indole-3-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 110246452
ethyl 1-(2-methyl-1H-indole-3-carbonyl)piperidine-3-carboxylate
CID 51112478
(3R)-1-(2-methyl-1H-indole-3-carbonyl)piperidine-3-sulfonamide
CID 95905379
azepan-1-yl-[4-(2-methyl-1H-indole-3-carbonyl)morpholin-2-yl]methanone
CID 110246363
[3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone
CID 62348603
cyclooctyl-(2-methyl-1H-indol-3-yl)methanone
CID 65018781
ethyl (3R)-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]piperidine-3-carboxylate
CID 94117544
1-[4-(2-methyl-1H-indole-3-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 110805781
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione
CID 55650120
ethyl 4-(2-methyl-1H-indole-3-carbonyl)-1,4-diazepane-1-carboxylate
CID 110809009
(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid
CID 7131658
(2-methyl-1H-indol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 26737234

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1H-indole-3-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-methyl-1H-indole-3-carbonyl)piperidine-3-carboxylic acid (CID 43355842) is 1-(2-methyl-1H-indole-3-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-methyl-1H-indole-3-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-methyl-1H-indole-3-carbonyl)piperidine-3-carboxylic acid is Cc1[nH]c2ccccc2c1C(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-(2-methyl-1H-indole-3-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is AURZXKGKQKOTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-14(12-6-2-3-7-13(12)17-10)15(19)18-8-4-5-11(9-18)16(20)21/h2-3,6-7,11,17H,4-5,8-9H2,1H3,(H,20,21).
What are the key properties of 1-(2-methyl-1H-indole-3-carbonyl)piperidine-3-carboxylic acid?
1-(2-methyl-1H-indole-3-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1H-indole-3-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 43355842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).