1-[2-(6-chloro-1-methylindol-3-yl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid

C19H24ClN3O3 — CID 122123542

IUPAC1-[2-(6-chloro-1-methylindol-3-yl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)NCCc2cn(C)c3cc(Cl)ccc23)C1
InChIInChI=1S/C19H24ClN3O3/c1-12-7-14(18(24)25)11-23(9-12)19(26)21-6-5-13-10-22(2)17-8-15(20)3-4-16(13)17/h3-4,8,10,12,14H,5-7,9,11H2,1-2H3,(H,21,26)(H,24,25)
InChIKeyPEXKWTAGWQSYQG-UHFFFAOYSA-N
MW377.87 g/mol
LogP3.13
Rot. Bonds4

About 1-[2-(6-chloro-1-methylindol-3-yl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid

1-[2-(6-chloro-1-methylindol-3-yl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122123542) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is 1-[2-(6-chloro-1-methylindol-3-yl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(6-chloro-1-methylindol-3-yl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122123542
Molecular FormulaC19H24ClN3O3
Molecular Weight377.87 g/mol
Exact Mass377.15
IUPAC Name1-[2-(6-chloro-1-methylindol-3-yl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)NCCc2cn(C)c3cc(Cl)ccc23)C1
InChIInChI=1S/C19H24ClN3O3/c1-12-7-14(18(24)25)11-23(9-12)19(26)21-6-5-13-10-22(2)17-8-15(20)3-4-16(13)17/h3-4,8,10,12,14H,5-7,9,11H2,1-2H3,(H,21,26)(H,24,25)
InChIKeyPEXKWTAGWQSYQG-UHFFFAOYSA-N
XLogP3.13
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(5-chloro-2-ethoxyphenyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123285
5-methyl-1-(2-phenylethylcarbamoyl)piperidine-3-carboxylic acid
CID 122121841
1-[(5-bromo-2-fluorophenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122233
1-[2-(2-methoxy-4-methoxycarbonylphenyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123971
1-[3-(2-fluorophenyl)propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123692
1-[2-(6-chloro-1-methylindol-3-yl)ethyl]-2,3-dimethylguanidine
CID 122081906
1-[2-(4-chlorophenyl)acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122119518
5-methyl-1-[2-(3-methyl-1,2-oxazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122123826
1-[[5-chloro-2-(trifluoromethyl)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122103113
1-[2-(3-methoxycarbonylphenyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123341
5-methyl-1-[[2-(1-methylpyrazol-4-yl)phenyl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122123294
1-[(4-chloro-3-fluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102090

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-chloro-1-methylindol-3-yl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(6-chloro-1-methylindol-3-yl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid (CID 122123542) is 1-[2-(6-chloro-1-methylindol-3-yl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(6-chloro-1-methylindol-3-yl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(6-chloro-1-methylindol-3-yl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)NCCc2cn(C)c3cc(Cl)ccc23)C1.
What is the InChIKey of 1-[2-(6-chloro-1-methylindol-3-yl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is PEXKWTAGWQSYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3/c1-12-7-14(18(24)25)11-23(9-12)19(26)21-6-5-13-10-22(2)17-8-15(20)3-4-16(13)17/h3-4,8,10,12,14H,5-7,9,11H2,1-2H3,(H,21,26)(H,24,25).
What are the key properties of 1-[2-(6-chloro-1-methylindol-3-yl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
1-[2-(6-chloro-1-methylindol-3-yl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 377.87 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-chloro-1-methylindol-3-yl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122123542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).