2-(5-methoxy-1H-indol-3-yl)-2-methyl-1-(3-methylpiperidin-1-yl)propan-1-one

C19H26N2O2 — CID 113210202

IUPAC2-(5-methoxy-1H-indol-3-yl)-2-methyl-1-(3-methylpiperidin-1-yl)propan-1-one
SMILESCOc1ccc2[nH]cc(C(C)(C)C(=O)N3CCCC(C)C3)c2c1
InChIInChI=1S/C19H26N2O2/c1-13-6-5-9-21(12-13)18(22)19(2,3)16-11-20-17-8-7-14(23-4)10-15(16)17/h7-8,10-11,13,20H,5-6,9,12H2,1-4H3
InChIKeyXQQBVXCNBWVLNR-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.71
Rot. Bonds3

About 2-(5-methoxy-1H-indol-3-yl)-2-methyl-1-(3-methylpiperidin-1-yl)propan-1-one

2-(5-methoxy-1H-indol-3-yl)-2-methyl-1-(3-methylpiperidin-1-yl)propan-1-one (PubChem CID 113210202) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-(5-methoxy-1H-indol-3-yl)-2-methyl-1-(3-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(5-methoxy-1H-indol-3-yl)-2-methyl-1-(3-methylpiperidin-1-yl)propan-1-one
PubChem CID113210202
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name2-(5-methoxy-1H-indol-3-yl)-2-methyl-1-(3-methylpiperidin-1-yl)propan-1-one
SMILESCOc1ccc2[nH]cc(C(C)(C)C(=O)N3CCCC(C)C3)c2c1
InChIInChI=1S/C19H26N2O2/c1-13-6-5-9-21(12-13)18(22)19(2,3)16-11-20-17-8-7-14(23-4)10-15(16)17/h7-8,10-11,13,20H,5-6,9,12H2,1-4H3
InChIKeyXQQBVXCNBWVLNR-UHFFFAOYSA-N
XLogP3.71
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-methoxy-1H-indol-3-yl)-2-methyl-1-morpholin-4-ylpropan-1-one
CID 113210139
N-cyclopentyl-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide
CID 113210132
2-(5-methoxy-1H-indol-3-yl)-2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 113210272
(3S)-N-cyclopentyl-3-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxamide
CID 126522636
N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]cyclopropanecarboxamide
CID 113084339
1-(4-acetylpiperazin-1-yl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropan-1-one
CID 113209885
N-(3-methoxyphenyl)-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108966767
tert-butyl 4-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylate
CID 45480277
[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone
CID 124988973
1-(5-methoxy-1H-indol-3-yl)-2-(4-methylpiperidin-1-yl)ethanone
CID 663738
2-(5-fluoro-1H-indol-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 113209925
methyl 2-[[2-(5-methoxy-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate
CID 113210255

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-2-methyl-1-(3-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-2-methyl-1-(3-methylpiperidin-1-yl)propan-1-one (CID 113210202) is 2-(5-methoxy-1H-indol-3-yl)-2-methyl-1-(3-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-(5-methoxy-1H-indol-3-yl)-2-methyl-1-(3-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-(5-methoxy-1H-indol-3-yl)-2-methyl-1-(3-methylpiperidin-1-yl)propan-1-one is COc1ccc2[nH]cc(C(C)(C)C(=O)N3CCCC(C)C3)c2c1.
What is the InChIKey of 2-(5-methoxy-1H-indol-3-yl)-2-methyl-1-(3-methylpiperidin-1-yl)propan-1-one?
The InChIKey is XQQBVXCNBWVLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-13-6-5-9-21(12-13)18(22)19(2,3)16-11-20-17-8-7-14(23-4)10-15(16)17/h7-8,10-11,13,20H,5-6,9,12H2,1-4H3.
What are the key properties of 2-(5-methoxy-1H-indol-3-yl)-2-methyl-1-(3-methylpiperidin-1-yl)propan-1-one?
2-(5-methoxy-1H-indol-3-yl)-2-methyl-1-(3-methylpiperidin-1-yl)propan-1-one has a molecular weight of 314.43 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1H-indol-3-yl)-2-methyl-1-(3-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 113210202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).