1-(2,3-dihydroindol-1-yl)-2-[3-(methylaminomethyl)piperidin-1-yl]ethanone

C17H25N3O — CID 61204032

IUPAC1-(2,3-dihydroindol-1-yl)-2-[3-(methylaminomethyl)piperidin-1-yl]ethanone
SMILESCNCC1CCCN(CC(=O)N2CCc3ccccc32)C1
InChIInChI=1S/C17H25N3O/c1-18-11-14-5-4-9-19(12-14)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
InChIKeyFBXOETSGPWIUNI-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.51
Rot. Bonds4

About 1-(2,3-dihydroindol-1-yl)-2-[3-(methylaminomethyl)piperidin-1-yl]ethanone

1-(2,3-dihydroindol-1-yl)-2-[3-(methylaminomethyl)piperidin-1-yl]ethanone (PubChem CID 61204032) 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-[3-(methylaminomethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[3-(methylaminomethyl)piperidin-1-yl]ethanone
PubChem CID61204032
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[3-(methylaminomethyl)piperidin-1-yl]ethanone
SMILESCNCC1CCCN(CC(=O)N2CCc3ccccc32)C1
InChIInChI=1S/C17H25N3O/c1-18-11-14-5-4-9-19(12-14)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
InChIKeyFBXOETSGPWIUNI-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

Analyze 1-(2,3-dihydroindol-1-yl)-2-[3-(methylaminomethyl)piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dihydroindol-1-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 55064419
2-[(3R)-3-aminopyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119905160
2-[(3S)-3-aminopyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119933655
1-[2-[3-(methylaminomethyl)piperidin-1-yl]acetyl]pyrrolidin-2-one
CID 61204984
1-(2,3-dihydroindol-1-yl)-2-[4-(ethylaminomethyl)piperidin-1-yl]ethanone
CID 119927826
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-hydroxypiperidin-1-yl)ethanone
CID 60645184
2-[3-(methylaminomethyl)piperidin-1-yl]-1-piperidin-1-ylethanone
CID 61205358
1-(2,3-dihydroindol-1-yl)-2-(3-hydroxyazetidin-1-yl)ethanone
CID 63282171
2-[3-(1-aminoethyl)piperidin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 119925626
1-(2,3-dihydroindol-1-yl)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 129402938
1-(2,3-dihydroindol-1-yl)-2-(2,6-dimethylmorpholin-4-yl)ethanone
CID 78790849
2-[3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 163354238

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[3-(methylaminomethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[3-(methylaminomethyl)piperidin-1-yl]ethanone (CID 61204032) is 1-(2,3-dihydroindol-1-yl)-2-[3-(methylaminomethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[3-(methylaminomethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[3-(methylaminomethyl)piperidin-1-yl]ethanone is CNCC1CCCN(CC(=O)N2CCc3ccccc32)C1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[3-(methylaminomethyl)piperidin-1-yl]ethanone?
The InChIKey is FBXOETSGPWIUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-18-11-14-5-4-9-19(12-14)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-[3-(methylaminomethyl)piperidin-1-yl]ethanone?
1-(2,3-dihydroindol-1-yl)-2-[3-(methylaminomethyl)piperidin-1-yl]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-[3-(methylaminomethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 61204032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).