benzyl 2-methyl-5-(2-piperidin-1-ylethyl)-1H-indole-3-carboxylate

C24H28N2O2 — CID 10110089

IUPACbenzyl 2-methyl-5-(2-piperidin-1-ylethyl)-1H-indole-3-carboxylate
SMILESCc1[nH]c2ccc(CCN3CCCCC3)cc2c1C(=O)OCc1ccccc1
InChIInChI=1S/C24H28N2O2/c1-18-23(24(27)28-17-20-8-4-2-5-9-20)21-16-19(10-11-22(21)25-18)12-15-26-13-6-3-7-14-26/h2,4-5,8-11,16,25H,3,6-7,12-15,17H2,1H3
InChIKeyBFIJVSLMFVGDNR-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.86
Rot. Bonds6

About benzyl 2-methyl-5-(2-piperidin-1-ylethyl)-1H-indole-3-carboxylate

benzyl 2-methyl-5-(2-piperidin-1-ylethyl)-1H-indole-3-carboxylate (PubChem CID 10110089) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is benzyl 2-methyl-5-(2-piperidin-1-ylethyl)-1H-indole-3-carboxylate.

Molecular Properties

Compound Namebenzyl 2-methyl-5-(2-piperidin-1-ylethyl)-1H-indole-3-carboxylate
PubChem CID10110089
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Namebenzyl 2-methyl-5-(2-piperidin-1-ylethyl)-1H-indole-3-carboxylate
SMILESCc1[nH]c2ccc(CCN3CCCCC3)cc2c1C(=O)OCc1ccccc1
InChIInChI=1S/C24H28N2O2/c1-18-23(24(27)28-17-20-8-4-2-5-9-20)21-16-19(10-11-22(21)25-18)12-15-26-13-6-3-7-14-26/h2,4-5,8-11,16,25H,3,6-7,12-15,17H2,1H3
InChIKeyBFIJVSLMFVGDNR-UHFFFAOYSA-N
XLogP4.86
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 2-methyl-5-(2-pyrrolidin-1-ylethylamino)-1H-indole-3-carboxylate
CID 10199610
benzyl 5-[2-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]ethyl]-2-methyl-1H-indole-3-carboxylate
CID 10274503
1-(2-bromophenyl)ethyl 2-methyl-5-(2-piperidin-1-ylethyl)-1H-indole-3-carboxylate
CID 22311954
2,3-dihydro-1H-inden-1-yl 2-methyl-5-(2-piperidin-1-ylethyl)-1H-indole-3-carboxylate
CID 22311878
1-(3,4-dichlorophenyl)ethyl 2-methyl-5-(2-pyrrolidin-1-ylethyl)-1H-indole-3-carboxylate
CID 23393770
benzyl 2-methyl-5-(pentafluoro-λ6-sulfanyl)-1H-indole-3-carboxylate
CID 132566613
1-(2,4-dichlorophenyl)ethyl 2-methyl-5-(2-pyrrolidin-1-ylethyl)-1H-indole-3-carboxylate
CID 23393747
ethyl 2-methyl-5-(3-piperidin-1-ylpropoxy)-1H-indole-3-carboxylate
CID 127030511
benzyl 5-(cyanomethoxy)-2-methyl-1H-indole-3-carboxylate
CID 23393884
benzyl 5-(4-chlorobutoxy)-2-methyl-1H-indole-3-carboxylate
CID 23393880
5-(2-cyclohexylethyl)-2-methyl-1H-indole-3-carboxylic acid
CID 22311889
benzyl 2-methyl-6-(pentafluoro-λ6-sulfanyl)-1H-indole-3-carboxylate
CID 132566619

Frequently Asked Questions

What is the IUPAC name of benzyl 2-methyl-5-(2-piperidin-1-ylethyl)-1H-indole-3-carboxylate?
The IUPAC name of benzyl 2-methyl-5-(2-piperidin-1-ylethyl)-1H-indole-3-carboxylate (CID 10110089) is benzyl 2-methyl-5-(2-piperidin-1-ylethyl)-1H-indole-3-carboxylate.
What is the SMILES notation for benzyl 2-methyl-5-(2-piperidin-1-ylethyl)-1H-indole-3-carboxylate?
The canonical SMILES for benzyl 2-methyl-5-(2-piperidin-1-ylethyl)-1H-indole-3-carboxylate is Cc1[nH]c2ccc(CCN3CCCCC3)cc2c1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-methyl-5-(2-piperidin-1-ylethyl)-1H-indole-3-carboxylate?
The InChIKey is BFIJVSLMFVGDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-18-23(24(27)28-17-20-8-4-2-5-9-20)21-16-19(10-11-22(21)25-18)12-15-26-13-6-3-7-14-26/h2,4-5,8-11,16,25H,3,6-7,12-15,17H2,1H3.
What are the key properties of benzyl 2-methyl-5-(2-piperidin-1-ylethyl)-1H-indole-3-carboxylate?
benzyl 2-methyl-5-(2-piperidin-1-ylethyl)-1H-indole-3-carboxylate has a molecular weight of 376.50 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-methyl-5-(2-piperidin-1-ylethyl)-1H-indole-3-carboxylate is sourced from PubChem (CID 10110089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).