5-[1-[ethyl-(4-methoxyphenyl)carbamoyl]piperidine-4-carbonyl]-1-methylindole-2-carboxylic acid

C26H29N3O5 — CID 146627093

IUPAC5-[1-[ethyl-(4-methoxyphenyl)carbamoyl]piperidine-4-carbonyl]-1-methylindole-2-carboxylic acid
SMILESCCN(C(=O)N1CCC(C(=O)c2ccc3c(c2)cc(C(=O)O)n3C)CC1)c1ccc(OC)cc1
InChIInChI=1S/C26H29N3O5/c1-4-29(20-6-8-21(34-3)9-7-20)26(33)28-13-11-17(12-14-28)24(30)18-5-10-22-19(15-18)16-23(25(31)32)27(22)2/h5-10,15-17H,4,11-14H2,1-3H3,(H,31,32)
InChIKeyJWNWTMMYAWEEFL-UHFFFAOYSA-N
MW463.53 g/mol
LogP4.43
Rot. Bonds6

About 5-[1-[ethyl-(4-methoxyphenyl)carbamoyl]piperidine-4-carbonyl]-1-methylindole-2-carboxylic acid

5-[1-[ethyl-(4-methoxyphenyl)carbamoyl]piperidine-4-carbonyl]-1-methylindole-2-carboxylic acid (PubChem CID 146627093) has the molecular formula C26H29N3O5 and a molecular weight of 463.53 g/mol. Its IUPAC name is 5-[1-[ethyl-(4-methoxyphenyl)carbamoyl]piperidine-4-carbonyl]-1-methylindole-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-[ethyl-(4-methoxyphenyl)carbamoyl]piperidine-4-carbonyl]-1-methylindole-2-carboxylic acid
PubChem CID146627093
Molecular FormulaC26H29N3O5
Molecular Weight463.53 g/mol
Exact Mass463.21
IUPAC Name5-[1-[ethyl-(4-methoxyphenyl)carbamoyl]piperidine-4-carbonyl]-1-methylindole-2-carboxylic acid
SMILESCCN(C(=O)N1CCC(C(=O)c2ccc3c(c2)cc(C(=O)O)n3C)CC1)c1ccc(OC)cc1
InChIInChI=1S/C26H29N3O5/c1-4-29(20-6-8-21(34-3)9-7-20)26(33)28-13-11-17(12-14-28)24(30)18-5-10-22-19(15-18)16-23(25(31)32)27(22)2/h5-10,15-17H,4,11-14H2,1-3H3,(H,31,32)
InChIKeyJWNWTMMYAWEEFL-UHFFFAOYSA-N
XLogP4.43
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Methoxy-1-methyl-1H-indole-2-carboxylic acid
CID 647460
1-Benzoyl-5-methoxy-2-methylindole-3-acetic acid
CID 4177957
5-(4-Tert-Butylphenyl)-1-[4-(Propan-2-Yloxy)phenyl]-1h-Indole-2-Carboxylic Acid
CID 11510178
3-Cyclohexyl-1-dimethylcarbamoylmethyl-2-(4-methoxy-phenyl)-1H-indole-6-carboxylic acid
CID 5275450
6-[1-[Ethyl-(4-methoxyphenyl)carbamoyl]piperidine-4-carbonyl]-1-methylindazole-3-carboxylic acid
CID 146627034
6-[1-[Ethyl-(4-methoxyphenyl)carbamoyl]piperidine-4-carbonyl]-1-methylindole-2-carboxylic acid
CID 146663928
Zidometacin
CID 44179
[4-[2-[7-(2-Methoxycarbonyl-5-phenylmethoxyindol-1-yl)heptoxy]-2-oxoethyl]phenyl]-trimethylazanium iodide
CID 9831523
3-{[(4-Ethoxyphenyl)carbamoyl]methyl}-1-methyl-1H-indole-2-carboxylic acid
CID 4226872
1-Methyl-5-phenoxyindole-2-carboxylic acid
CID 4983876
1-Methyl-5-(3-methylphenoxy)indole-2-carboxylic acid
CID 5019869
5-[3-(1-Benzylpiperidin-4-yl)propoxy]-1-methylindole-2-carboxylic acid
CID 76325640

Frequently Asked Questions

What is the IUPAC name of 5-[1-[ethyl-(4-methoxyphenyl)carbamoyl]piperidine-4-carbonyl]-1-methylindole-2-carboxylic acid?
The IUPAC name of 5-[1-[ethyl-(4-methoxyphenyl)carbamoyl]piperidine-4-carbonyl]-1-methylindole-2-carboxylic acid (CID 146627093) is 5-[1-[ethyl-(4-methoxyphenyl)carbamoyl]piperidine-4-carbonyl]-1-methylindole-2-carboxylic acid.
What is the SMILES notation for 5-[1-[ethyl-(4-methoxyphenyl)carbamoyl]piperidine-4-carbonyl]-1-methylindole-2-carboxylic acid?
The canonical SMILES for 5-[1-[ethyl-(4-methoxyphenyl)carbamoyl]piperidine-4-carbonyl]-1-methylindole-2-carboxylic acid is CCN(C(=O)N1CCC(C(=O)c2ccc3c(c2)cc(C(=O)O)n3C)CC1)c1ccc(OC)cc1.
What is the InChIKey of 5-[1-[ethyl-(4-methoxyphenyl)carbamoyl]piperidine-4-carbonyl]-1-methylindole-2-carboxylic acid?
The InChIKey is JWNWTMMYAWEEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5/c1-4-29(20-6-8-21(34-3)9-7-20)26(33)28-13-11-17(12-14-28)24(30)18-5-10-22-19(15-18)16-23(25(31)32)27(22)2/h5-10,15-17H,4,11-14H2,1-3H3,(H,31,32).
What are the key properties of 5-[1-[ethyl-(4-methoxyphenyl)carbamoyl]piperidine-4-carbonyl]-1-methylindole-2-carboxylic acid?
5-[1-[ethyl-(4-methoxyphenyl)carbamoyl]piperidine-4-carbonyl]-1-methylindole-2-carboxylic acid has a molecular weight of 463.53 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[ethyl-(4-methoxyphenyl)carbamoyl]piperidine-4-carbonyl]-1-methylindole-2-carboxylic acid is sourced from PubChem (CID 146627093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).