(3-ethoxypiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone

C17H22N2O2 — CID 56819947

IUPAC(3-ethoxypiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone
SMILESCCOC1CCCN(C(=O)c2cc3ccc(C)cc3[nH]2)C1
InChIInChI=1S/C17H22N2O2/c1-3-21-14-5-4-8-19(11-14)17(20)16-10-13-7-6-12(2)9-15(13)18-16/h6-7,9-10,14,18H,3-5,8,11H2,1-2H3
InChIKeyYTKKTBFKODOMAQ-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.12
Rot. Bonds3

About (3-ethoxypiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone

(3-ethoxypiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone (PubChem CID 56819947) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is (3-ethoxypiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name(3-ethoxypiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone
PubChem CID56819947
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name(3-ethoxypiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone
SMILESCCOC1CCCN(C(=O)c2cc3ccc(C)cc3[nH]2)C1
InChIInChI=1S/C17H22N2O2/c1-3-21-14-5-4-8-19(11-14)17(20)16-10-13-7-6-12(2)9-15(13)18-16/h6-7,9-10,14,18H,3-5,8,11H2,1-2H3
InChIKeyYTKKTBFKODOMAQ-UHFFFAOYSA-N
XLogP3.12
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(7-amino-1H-indol-2-yl)-(3-ethoxypiperidin-1-yl)methanone
CID 63118076
(3-ethoxypiperidin-1-yl)-(2-hydroxy-4-methylphenyl)methanone
CID 54983413
(3-ethoxypiperidin-1-yl)-(2-fluoro-5-methylphenyl)methanone
CID 55083098
(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(6-methyl-1H-indol-2-yl)methanone
CID 71929956
1-(azepan-1-yl)-2-[4-(6-methyl-1H-indole-2-carbonyl)piperazin-1-yl]ethanone
CID 55559402
ethyl (3S)-1-(1H-indole-2-carbonyl)piperidine-3-carboxylate
CID 29206160
4-(6-methyl-1H-indole-2-carbonyl)morpholine-2-carboxylic acid
CID 119238946
(3-ethoxypiperidin-1-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 47911164
(3-ethoxypiperidin-1-yl)-(2-methylphenyl)methanone
CID 42656402
(6-methyl-1H-indol-2-yl)-[(3R)-3-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]piperidin-1-yl]methanone
CID 92560376
(6-methyl-1H-indol-2-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95290652
(3,5-dihydroxyphenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 103892247

Frequently Asked Questions

What is the IUPAC name of (3-ethoxypiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone?
The IUPAC name of (3-ethoxypiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone (CID 56819947) is (3-ethoxypiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone.
What is the SMILES notation for (3-ethoxypiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone?
The canonical SMILES for (3-ethoxypiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone is CCOC1CCCN(C(=O)c2cc3ccc(C)cc3[nH]2)C1.
What is the InChIKey of (3-ethoxypiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone?
The InChIKey is YTKKTBFKODOMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-21-14-5-4-8-19(11-14)17(20)16-10-13-7-6-12(2)9-15(13)18-16/h6-7,9-10,14,18H,3-5,8,11H2,1-2H3.
What are the key properties of (3-ethoxypiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone?
(3-ethoxypiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone has a molecular weight of 286.38 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxypiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone is sourced from PubChem (CID 56819947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).