1-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperidin-1-yl)ethanone

C18H24N2O2 — CID 5307589

IUPAC1-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperidin-1-yl)ethanone
SMILESCC(=O)N1CCc2cc(C(=O)CN3CCC(C)CC3)ccc21
InChIInChI=1S/C18H24N2O2/c1-13-5-8-19(9-6-13)12-18(22)16-3-4-17-15(11-16)7-10-20(17)14(2)21/h3-4,11,13H,5-10,12H2,1-2H3
InChIKeyCIVJKCJNCZQMEZ-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.51
Rot. Bonds3

About 1-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperidin-1-yl)ethanone

1-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperidin-1-yl)ethanone (PubChem CID 5307589) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperidin-1-yl)ethanone
PubChem CID5307589
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name1-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperidin-1-yl)ethanone
SMILESCC(=O)N1CCc2cc(C(=O)CN3CCC(C)CC3)ccc21
InChIInChI=1S/C18H24N2O2/c1-13-5-8-19(9-6-13)12-18(22)16-3-4-17-15(11-16)7-10-20(17)14(2)21/h3-4,11,13H,5-10,12H2,1-2H3
InChIKeyCIVJKCJNCZQMEZ-UHFFFAOYSA-N
XLogP2.51
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperidin-1-yl)ethanone (CID 5307589) is 1-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperidin-1-yl)ethanone is CC(=O)N1CCc2cc(C(=O)CN3CCC(C)CC3)ccc21.
What is the InChIKey of 1-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is CIVJKCJNCZQMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13-5-8-19(9-6-13)12-18(22)16-3-4-17-15(11-16)7-10-20(17)14(2)21/h3-4,11,13H,5-10,12H2,1-2H3.
What are the key properties of 1-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperidin-1-yl)ethanone?
1-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 300.40 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 5307589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).