(1,6-dimethylpiperidin-2-yl)methyl 1H-indole-3-carboxylate

C17H22N2O2 — CID 54523063

IUPAC(1,6-dimethylpiperidin-2-yl)methyl 1H-indole-3-carboxylate
SMILESCC1CCCC(COC(=O)c2c[nH]c3ccccc23)N1C
InChIInChI=1S/C17H22N2O2/c1-12-6-5-7-13(19(12)2)11-21-17(20)15-10-18-16-9-4-3-8-14(15)16/h3-4,8-10,12-13,18H,5-7,11H2,1-2H3
InChIKeyYRFBCEIDJICPJP-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.20
Rot. Bonds3

About (1,6-dimethylpiperidin-2-yl)methyl 1H-indole-3-carboxylate

(1,6-dimethylpiperidin-2-yl)methyl 1H-indole-3-carboxylate (PubChem CID 54523063) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is (1,6-dimethylpiperidin-2-yl)methyl 1H-indole-3-carboxylate.

Molecular Properties

Compound Name(1,6-dimethylpiperidin-2-yl)methyl 1H-indole-3-carboxylate
PubChem CID54523063
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name(1,6-dimethylpiperidin-2-yl)methyl 1H-indole-3-carboxylate
SMILESCC1CCCC(COC(=O)c2c[nH]c3ccccc23)N1C
InChIInChI=1S/C17H22N2O2/c1-12-6-5-7-13(19(12)2)11-21-17(20)15-10-18-16-9-4-3-8-14(15)16/h3-4,8-10,12-13,18H,5-7,11H2,1-2H3
InChIKeyYRFBCEIDJICPJP-UHFFFAOYSA-N
XLogP3.20
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanone
CID 3733485
ethyl 1H-indole-3-carboxylate;hydrate;hydrochloride
CID 141063038
[(1R,5S,6R)-8-methyl-8-azabicyclo[3.2.1]octan-6-yl] 1H-indole-3-carboxylate
CID 23376538
1-(4-methylpiperidin-1-yl)propan-2-yl 1H-indole-3-carboxylate
CID 54474545
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 7888882
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 8606559
methanesulfonic acid;[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate
CID 57330916
ethane;methyl 1H-indole-3-carboxylate
CID 143850313
[1-[2-(benzenesulfonamido)ethyl]piperidin-4-yl]methyl 1H-indole-3-carboxylate
CID 138403145
2-[cyclobutyl(methyl)amino]-1-(1H-indol-3-yl)ethanone
CID 113246464
2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(1H-indol-3-yl)ethanone
CID 83137954
(1,3-dioxoisoindol-2-yl)methyl 1H-indole-3-carboxylate
CID 7517850

Frequently Asked Questions

What is the IUPAC name of (1,6-dimethylpiperidin-2-yl)methyl 1H-indole-3-carboxylate?
The IUPAC name of (1,6-dimethylpiperidin-2-yl)methyl 1H-indole-3-carboxylate (CID 54523063) is (1,6-dimethylpiperidin-2-yl)methyl 1H-indole-3-carboxylate.
What is the SMILES notation for (1,6-dimethylpiperidin-2-yl)methyl 1H-indole-3-carboxylate?
The canonical SMILES for (1,6-dimethylpiperidin-2-yl)methyl 1H-indole-3-carboxylate is CC1CCCC(COC(=O)c2c[nH]c3ccccc23)N1C.
What is the InChIKey of (1,6-dimethylpiperidin-2-yl)methyl 1H-indole-3-carboxylate?
The InChIKey is YRFBCEIDJICPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-6-5-7-13(19(12)2)11-21-17(20)15-10-18-16-9-4-3-8-14(15)16/h3-4,8-10,12-13,18H,5-7,11H2,1-2H3.
What are the key properties of (1,6-dimethylpiperidin-2-yl)methyl 1H-indole-3-carboxylate?
(1,6-dimethylpiperidin-2-yl)methyl 1H-indole-3-carboxylate has a molecular weight of 286.37 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,6-dimethylpiperidin-2-yl)methyl 1H-indole-3-carboxylate is sourced from PubChem (CID 54523063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).