1-(4,5-dimethyl-1H-indole-2-carbonyl)-5-methylpiperidine-3-carboxylic acid

C18H22N2O3 — CID 122117522

IUPAC1-(4,5-dimethyl-1H-indole-2-carbonyl)-5-methylpiperidine-3-carboxylic acid
SMILESCc1ccc2[nH]c(C(=O)N3CC(C)CC(C(=O)O)C3)cc2c1C
InChIInChI=1S/C18H22N2O3/c1-10-6-13(18(22)23)9-20(8-10)17(21)16-7-14-12(3)11(2)4-5-15(14)19-16/h4-5,7,10,13,19H,6,8-9H2,1-3H3,(H,22,23)
InChIKeyXNORKXGPYBFDGM-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.97
Rot. Bonds2

About 1-(4,5-dimethyl-1H-indole-2-carbonyl)-5-methylpiperidine-3-carboxylic acid

1-(4,5-dimethyl-1H-indole-2-carbonyl)-5-methylpiperidine-3-carboxylic acid (PubChem CID 122117522) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1H-indole-2-carbonyl)-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4,5-dimethyl-1H-indole-2-carbonyl)-5-methylpiperidine-3-carboxylic acid
PubChem CID122117522
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name1-(4,5-dimethyl-1H-indole-2-carbonyl)-5-methylpiperidine-3-carboxylic acid
SMILESCc1ccc2[nH]c(C(=O)N3CC(C)CC(C(=O)O)C3)cc2c1C
InChIInChI=1S/C18H22N2O3/c1-10-6-13(18(22)23)9-20(8-10)17(21)16-7-14-12(3)11(2)4-5-15(14)19-16/h4-5,7,10,13,19H,6,8-9H2,1-3H3,(H,22,23)
InChIKeyXNORKXGPYBFDGM-UHFFFAOYSA-N
XLogP2.97
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylbenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119496
(2R,3R)-1-(4,5-dimethyl-1H-indole-2-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122116544
5-methyl-1-(1-oxo-2H-isoquinoline-3-carbonyl)piperidine-3-carboxylic acid
CID 122119148
5-methyl-1-(4-methyl-2-oxo-1H-quinoline-3-carbonyl)piperidine-3-carboxylic acid
CID 122119684
(3,5-dimethylpiperidin-1-yl)-(4-fluoro-1H-indol-2-yl)methanone
CID 47151027
1-(2,4-dimethylbenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119554
(3,5-dimethyl-1H-indol-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 84578683
5-methyl-1-(2-methyl-5-methylsulfanylbenzoyl)piperidine-3-carboxylic acid
CID 122118920
ethyl 2-[1-(4,5-dimethyl-1H-indole-2-carbonyl)pyrrolidin-3-yl]-2-fluoroacetate
CID 126841837
5-methyl-1-(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)piperidine-3-carboxylic acid
CID 122117261
1-(5-bromo-1H-indazole-3-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122118304
5-methyl-1-(3-methylpyridine-2-carbonyl)piperidine-3-carboxylic acid
CID 122117858

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1H-indole-2-carbonyl)-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(4,5-dimethyl-1H-indole-2-carbonyl)-5-methylpiperidine-3-carboxylic acid (CID 122117522) is 1-(4,5-dimethyl-1H-indole-2-carbonyl)-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(4,5-dimethyl-1H-indole-2-carbonyl)-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(4,5-dimethyl-1H-indole-2-carbonyl)-5-methylpiperidine-3-carboxylic acid is Cc1ccc2[nH]c(C(=O)N3CC(C)CC(C(=O)O)C3)cc2c1C.
What is the InChIKey of 1-(4,5-dimethyl-1H-indole-2-carbonyl)-5-methylpiperidine-3-carboxylic acid?
The InChIKey is XNORKXGPYBFDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-10-6-13(18(22)23)9-20(8-10)17(21)16-7-14-12(3)11(2)4-5-15(14)19-16/h4-5,7,10,13,19H,6,8-9H2,1-3H3,(H,22,23).
What are the key properties of 1-(4,5-dimethyl-1H-indole-2-carbonyl)-5-methylpiperidine-3-carboxylic acid?
1-(4,5-dimethyl-1H-indole-2-carbonyl)-5-methylpiperidine-3-carboxylic acid has a molecular weight of 314.38 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1H-indole-2-carbonyl)-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122117522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).