1-(2,3-dihydroindol-1-yl)-2-[piperidin-4-yl(propyl)amino]ethanone

C18H27N3O — CID 119932761

IUPAC1-(2,3-dihydroindol-1-yl)-2-[piperidin-4-yl(propyl)amino]ethanone
SMILESCCCN(CC(=O)N1CCc2ccccc21)C1CCNCC1
InChIInChI=1S/C18H27N3O/c1-2-12-20(16-7-10-19-11-8-16)14-18(22)21-13-9-15-5-3-4-6-17(15)21/h3-6,16,19H,2,7-14H2,1H3
InChIKeyFBVQPGFDWQZCQE-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.04
Rot. Bonds5

About 1-(2,3-dihydroindol-1-yl)-2-[piperidin-4-yl(propyl)amino]ethanone

1-(2,3-dihydroindol-1-yl)-2-[piperidin-4-yl(propyl)amino]ethanone (PubChem CID 119932761) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[piperidin-4-yl(propyl)amino]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[piperidin-4-yl(propyl)amino]ethanone
PubChem CID119932761
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[piperidin-4-yl(propyl)amino]ethanone
SMILESCCCN(CC(=O)N1CCc2ccccc21)C1CCNCC1
InChIInChI=1S/C18H27N3O/c1-2-12-20(16-7-10-19-11-8-16)14-18(22)21-13-9-15-5-3-4-6-17(15)21/h3-6,16,19H,2,7-14H2,1H3
InChIKeyFBVQPGFDWQZCQE-UHFFFAOYSA-N
XLogP2.04
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,3-dihydroindol-1-yl)-2-[piperidin-4-yl(propyl)amino]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-[propyl(pyrrolidin-3-yl)amino]ethanone
CID 63304419
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(1,1-dioxothiolan-3-yl)-propylamino]ethanone
CID 55437399
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[propyl(pyrrolidin-3-yl)amino]ethanone
CID 119921401
2-(diethylamino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 3028969
1-[2-[piperidin-4-yl(propyl)amino]acetyl]piperidin-4-one
CID 62029166
1-phenyl-2-[piperidin-4-yl(propyl)amino]ethanone
CID 62031069
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-1-(2,3-dihydroindol-1-yl)ethanone
CID 8770055
2-[cyclopropyl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]acetic acid
CID 60834511
1-(2,3-dihydroindol-1-yl)-2-[methyl(piperidin-3-ylmethyl)amino]ethanone
CID 106637154
N-cyclopropyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 113115408
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-pentylmethanesulfonamide
CID 113153451
1-(3,5-dimethylpiperidin-1-yl)-2-[piperidin-4-yl(propyl)amino]ethanone
CID 60806824

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[piperidin-4-yl(propyl)amino]ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[piperidin-4-yl(propyl)amino]ethanone (CID 119932761) is 1-(2,3-dihydroindol-1-yl)-2-[piperidin-4-yl(propyl)amino]ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[piperidin-4-yl(propyl)amino]ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[piperidin-4-yl(propyl)amino]ethanone is CCCN(CC(=O)N1CCc2ccccc21)C1CCNCC1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[piperidin-4-yl(propyl)amino]ethanone?
The InChIKey is FBVQPGFDWQZCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-2-12-20(16-7-10-19-11-8-16)14-18(22)21-13-9-15-5-3-4-6-17(15)21/h3-6,16,19H,2,7-14H2,1H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[piperidin-4-yl(propyl)amino]ethanone?
1-(2,3-dihydroindol-1-yl)-2-[piperidin-4-yl(propyl)amino]ethanone has a molecular weight of 301.43 g/mol, XLogP of 2.04, 5 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-[piperidin-4-yl(propyl)amino]ethanone is sourced from PubChem (CID 119932761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).