2-(3-oxo-3-piperidin-1-ylpropyl)-3,4-dihydro-2H-naphthalen-1-one

C18H23NO2 — CID 22104550

IUPAC2-(3-oxo-3-piperidin-1-ylpropyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccccc2CCC1CCC(=O)N1CCCCC1
InChIInChI=1S/C18H23NO2/c20-17(19-12-4-1-5-13-19)11-10-15-9-8-14-6-2-3-7-16(14)18(15)21/h2-3,6-7,15H,1,4-5,8-13H2
InChIKeyQREMXDIKKZLDRG-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.22
Rot. Bonds3

About 2-(3-oxo-3-piperidin-1-ylpropyl)-3,4-dihydro-2H-naphthalen-1-one

2-(3-oxo-3-piperidin-1-ylpropyl)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 22104550) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(3-oxo-3-piperidin-1-ylpropyl)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name2-(3-oxo-3-piperidin-1-ylpropyl)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID22104550
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-(3-oxo-3-piperidin-1-ylpropyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccccc2CCC1CCC(=O)N1CCCCC1
InChIInChI=1S/C18H23NO2/c20-17(19-12-4-1-5-13-19)11-10-15-9-8-14-6-2-3-7-16(14)18(15)21/h2-3,6-7,15H,1,4-5,8-13H2
InChIKeyQREMXDIKKZLDRG-UHFFFAOYSA-N
XLogP3.22
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-3-piperidin-1-ylpropyl)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 2-(3-oxo-3-piperidin-1-ylpropyl)-3,4-dihydro-2H-naphthalen-1-one (CID 22104550) is 2-(3-oxo-3-piperidin-1-ylpropyl)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 2-(3-oxo-3-piperidin-1-ylpropyl)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 2-(3-oxo-3-piperidin-1-ylpropyl)-3,4-dihydro-2H-naphthalen-1-one is O=C1c2ccccc2CCC1CCC(=O)N1CCCCC1.
What is the InChIKey of 2-(3-oxo-3-piperidin-1-ylpropyl)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is QREMXDIKKZLDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c20-17(19-12-4-1-5-13-19)11-10-15-9-8-14-6-2-3-7-16(14)18(15)21/h2-3,6-7,15H,1,4-5,8-13H2.
What are the key properties of 2-(3-oxo-3-piperidin-1-ylpropyl)-3,4-dihydro-2H-naphthalen-1-one?
2-(3-oxo-3-piperidin-1-ylpropyl)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 285.39 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-3-piperidin-1-ylpropyl)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 22104550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).