1-(1-acetyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ylethanone

C17H22N2O2 — CID 5309620

IUPAC1-(1-acetyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ylethanone
SMILESCC(=O)N1CCc2cc(C(=O)CN3CCCCC3)ccc21
InChIInChI=1S/C17H22N2O2/c1-13(20)19-10-7-14-11-15(5-6-16(14)19)17(21)12-18-8-3-2-4-9-18/h5-6,11H,2-4,7-10,12H2,1H3
InChIKeyPAJVKUUQFSPKHP-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.26
Rot. Bonds3

About 1-(1-acetyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ylethanone

1-(1-acetyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ylethanone (PubChem CID 5309620) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(1-acetyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-(1-acetyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ylethanone
PubChem CID5309620
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-(1-acetyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ylethanone
SMILESCC(=O)N1CCc2cc(C(=O)CN3CCCCC3)ccc21
InChIInChI=1S/C17H22N2O2/c1-13(20)19-10-7-14-11-15(5-6-16(14)19)17(21)12-18-8-3-2-4-9-18/h5-6,11H,2-4,7-10,12H2,1H3
InChIKeyPAJVKUUQFSPKHP-UHFFFAOYSA-N
XLogP2.26
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.26
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-piperidin-1-ylethanone?
The IUPAC name of 1-(1-acetyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ylethanone (CID 5309620) is 1-(1-acetyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ylethanone.
What is the SMILES notation for 1-(1-acetyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ylethanone?
The canonical SMILES for 1-(1-acetyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ylethanone is CC(=O)N1CCc2cc(C(=O)CN3CCCCC3)ccc21.
What is the InChIKey of 1-(1-acetyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ylethanone?
The InChIKey is PAJVKUUQFSPKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-13(20)19-10-7-14-11-15(5-6-16(14)19)17(21)12-18-8-3-2-4-9-18/h5-6,11H,2-4,7-10,12H2,1H3.
What are the key properties of 1-(1-acetyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ylethanone?
1-(1-acetyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ylethanone has a molecular weight of 286.38 g/mol, XLogP of 2.26, 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-piperidin-1-ylethanone is sourced from PubChem (CID 5309620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).