1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-piperidin-1-ylanilino)ethanone

C22H27N3O — CID 4879491

IUPAC1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-piperidin-1-ylanilino)ethanone
SMILESCC1Cc2ccccc2N1C(=O)CNc1ccccc1N1CCCCC1
InChIInChI=1S/C22H27N3O/c1-17-15-18-9-3-5-11-20(18)25(17)22(26)16-23-19-10-4-6-12-21(19)24-13-7-2-8-14-24/h3-6,9-12,17,23H,2,7-8,13-16H2,1H3
InChIKeyBUYAWYMBNCMSQU-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.07
Rot. Bonds4

About 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-piperidin-1-ylanilino)ethanone

1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-piperidin-1-ylanilino)ethanone (PubChem CID 4879491) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-piperidin-1-ylanilino)ethanone.

Molecular Properties

Compound Name1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-piperidin-1-ylanilino)ethanone
PubChem CID4879491
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-piperidin-1-ylanilino)ethanone
SMILESCC1Cc2ccccc2N1C(=O)CNc1ccccc1N1CCCCC1
InChIInChI=1S/C22H27N3O/c1-17-15-18-9-3-5-11-20(18)25(17)22(26)16-23-19-10-4-6-12-21(19)24-13-7-2-8-14-24/h3-6,9-12,17,23H,2,7-8,13-16H2,1H3
InChIKeyBUYAWYMBNCMSQU-UHFFFAOYSA-N
XLogP4.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-piperidin-1-ylanilino)ethanone?
The IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-piperidin-1-ylanilino)ethanone (CID 4879491) is 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-piperidin-1-ylanilino)ethanone.
What is the SMILES notation for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-piperidin-1-ylanilino)ethanone?
The canonical SMILES for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-piperidin-1-ylanilino)ethanone is CC1Cc2ccccc2N1C(=O)CNc1ccccc1N1CCCCC1.
What is the InChIKey of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-piperidin-1-ylanilino)ethanone?
The InChIKey is BUYAWYMBNCMSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-17-15-18-9-3-5-11-20(18)25(17)22(26)16-23-19-10-4-6-12-21(19)24-13-7-2-8-14-24/h3-6,9-12,17,23H,2,7-8,13-16H2,1H3.
What are the key properties of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-piperidin-1-ylanilino)ethanone?
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-piperidin-1-ylanilino)ethanone has a molecular weight of 349.48 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-piperidin-1-ylanilino)ethanone is sourced from PubChem (CID 4879491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).