1-(2,3-dihydroindol-1-yl)-2-[methyl(piperidin-3-ylmethyl)amino]ethanone

C17H25N3O — CID 106637154

IUPAC1-(2,3-dihydroindol-1-yl)-2-[methyl(piperidin-3-ylmethyl)amino]ethanone
SMILESCN(CC(=O)N1CCc2ccccc21)CC1CCCNC1
InChIInChI=1S/C17H25N3O/c1-19(12-14-5-4-9-18-11-14)13-17(21)20-10-8-15-6-2-3-7-16(15)20/h2-3,6-7,14,18H,4-5,8-13H2,1H3
InChIKeyRQBLLFRNYZJSFR-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.51
Rot. Bonds4

About 1-(2,3-dihydroindol-1-yl)-2-[methyl(piperidin-3-ylmethyl)amino]ethanone

1-(2,3-dihydroindol-1-yl)-2-[methyl(piperidin-3-ylmethyl)amino]ethanone (PubChem CID 106637154) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[methyl(piperidin-3-ylmethyl)amino]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[methyl(piperidin-3-ylmethyl)amino]ethanone
PubChem CID106637154
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[methyl(piperidin-3-ylmethyl)amino]ethanone
SMILESCN(CC(=O)N1CCc2ccccc21)CC1CCCNC1
InChIInChI=1S/C17H25N3O/c1-19(12-14-5-4-9-18-11-14)13-17(21)20-10-8-15-6-2-3-7-16(15)20/h2-3,6-7,14,18H,4-5,8-13H2,1H3
InChIKeyRQBLLFRNYZJSFR-UHFFFAOYSA-N
XLogP1.51
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-piperidin-3-ylethanone
CID 62690706
1-(2,3-dihydroindol-1-yl)-2-[propyl(pyrrolidin-3-yl)amino]ethanone
CID 63304419
1-(4-methylpiperidin-1-yl)-2-[methyl(piperidin-3-ylmethyl)amino]ethanone
CID 106636288
2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-1-(2,3-dihydroindol-1-yl)ethanone
CID 111858977
1-(2,3-dihydroindol-1-yl)-2-[2-hydroxypropyl(methyl)amino]ethanone
CID 55061280
1-(3,5-dimethylpiperidin-1-yl)-2-[methyl(piperidin-3-ylmethyl)amino]ethanone
CID 106636866
2-[3-aminopropyl(methyl)amino]-1-(2,3-dihydroindol-1-yl)ethanone
CID 81493095
1-(2,3-dihydroindol-1-yl)-2-[piperidin-4-yl(propyl)amino]ethanone
CID 119932761
2-[methyl(piperidin-3-ylmethyl)amino]-1-morpholin-4-ylethanone;hydrochloride
CID 119930321
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[methyl-[[6-(methylamino)-2-piperidin-3-ylpyrimidin-4-yl]methyl]amino]ethanone
CID 110092528
2-[cyclohexyl(methyl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 54817931
2-(diethylamino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 3028969

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[methyl(piperidin-3-ylmethyl)amino]ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[methyl(piperidin-3-ylmethyl)amino]ethanone (CID 106637154) is 1-(2,3-dihydroindol-1-yl)-2-[methyl(piperidin-3-ylmethyl)amino]ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[methyl(piperidin-3-ylmethyl)amino]ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[methyl(piperidin-3-ylmethyl)amino]ethanone is CN(CC(=O)N1CCc2ccccc21)CC1CCCNC1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[methyl(piperidin-3-ylmethyl)amino]ethanone?
The InChIKey is RQBLLFRNYZJSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-19(12-14-5-4-9-18-11-14)13-17(21)20-10-8-15-6-2-3-7-16(15)20/h2-3,6-7,14,18H,4-5,8-13H2,1H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[methyl(piperidin-3-ylmethyl)amino]ethanone?
1-(2,3-dihydroindol-1-yl)-2-[methyl(piperidin-3-ylmethyl)amino]ethanone has a molecular weight of 287.41 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-[methyl(piperidin-3-ylmethyl)amino]ethanone is sourced from PubChem (CID 106637154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).