2-[(2R)-2-ethylpiperidin-1-yl]-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone

C20H28N2O2 — CID 916245

IUPAC2-[(2R)-2-ethylpiperidin-1-yl]-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone
SMILESCC[C@@H]1CCCCN1CC(=O)c1c(C)n(C)c2ccc(OC)cc12
InChIInChI=1S/C20H28N2O2/c1-5-15-8-6-7-11-22(15)13-19(23)20-14(2)21(3)18-10-9-16(24-4)12-17(18)20/h9-10,12,15H,5-8,11,13H2,1-4H3/t15-/m1/s1
InChIKeyOLWUUVWJTYTMDB-OAHLLOKOSA-N
MW328.46 g/mol
LogP3.94
Rot. Bonds5

About 2-[(2R)-2-ethylpiperidin-1-yl]-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone

2-[(2R)-2-ethylpiperidin-1-yl]-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone (PubChem CID 916245) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-[(2R)-2-ethylpiperidin-1-yl]-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone.

Molecular Properties

Compound Name2-[(2R)-2-ethylpiperidin-1-yl]-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone
PubChem CID916245
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name2-[(2R)-2-ethylpiperidin-1-yl]-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone
SMILESCC[C@@H]1CCCCN1CC(=O)c1c(C)n(C)c2ccc(OC)cc12
InChIInChI=1S/C20H28N2O2/c1-5-15-8-6-7-11-22(15)13-19(23)20-14(2)21(3)18-10-9-16(24-4)12-17(18)20/h9-10,12,15H,5-8,11,13H2,1-4H3/t15-/m1/s1
InChIKeyOLWUUVWJTYTMDB-OAHLLOKOSA-N
XLogP3.94
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(2R)-2-ethylpiperidin-1-yl]-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone with MolForge

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Related Compounds

2-(cyclopropylamino)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone
CID 96679476
1-(5-methoxy-1,2-dimethylindol-3-yl)-2-[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]sulfanylethanone
CID 3429472
3-amino-1-(5-methoxy-1,2-dimethylindol-3-yl)propan-1-one
CID 82118498
[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]-dimethylazanium
CID 3714981
ethyl 3-[[2-[2-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]-5-methoxy-1-methylindole-2-carboxylate
CID 5112312
3-methoxy-1-[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]-2-methylpyridin-4-one
CID 91638253
[4-(1-hydroxycyclopropyl)piperidin-1-yl]-(5-methoxy-1,2-dimethylindol-3-yl)methanone
CID 138386675
1-[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]piperidin-1-ium-4-one
CID 7370847
1-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-2-(2-ethylpiperidin-1-yl)ethanone
CID 110654615
2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-8-methoxy-3,5-dimethylpyrimido[5,4-b]indol-4-one
CID 50834492
2-[(2S)-2-ethylpiperidin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 919474
2-(2-ethylpiperidin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 43227568

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-ethylpiperidin-1-yl]-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone?
The IUPAC name of 2-[(2R)-2-ethylpiperidin-1-yl]-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone (CID 916245) is 2-[(2R)-2-ethylpiperidin-1-yl]-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone.
What is the SMILES notation for 2-[(2R)-2-ethylpiperidin-1-yl]-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone?
The canonical SMILES for 2-[(2R)-2-ethylpiperidin-1-yl]-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone is CC[C@@H]1CCCCN1CC(=O)c1c(C)n(C)c2ccc(OC)cc12.
What is the InChIKey of 2-[(2R)-2-ethylpiperidin-1-yl]-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone?
The InChIKey is OLWUUVWJTYTMDB-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-5-15-8-6-7-11-22(15)13-19(23)20-14(2)21(3)18-10-9-16(24-4)12-17(18)20/h9-10,12,15H,5-8,11,13H2,1-4H3/t15-/m1/s1.
What are the key properties of 2-[(2R)-2-ethylpiperidin-1-yl]-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone?
2-[(2R)-2-ethylpiperidin-1-yl]-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone has a molecular weight of 328.46 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-ethylpiperidin-1-yl]-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone is sourced from PubChem (CID 916245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).