6-naphthalen-1-ylpiperidin-2-one

C15H15NO — CID 18916072

IUPAC6-naphthalen-1-ylpiperidin-2-one
SMILESO=C1CCCC(c2cccc3ccccc23)N1
InChIInChI=1S/C15H15NO/c17-15-10-4-9-14(16-15)13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8,14H,4,9-10H2,(H,16,17)
InChIKeyHRQULBWPNBJMIC-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.18
Rot. Bonds1

About 6-naphthalen-1-ylpiperidin-2-one

6-naphthalen-1-ylpiperidin-2-one (PubChem CID 18916072) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 6-naphthalen-1-ylpiperidin-2-one.

Molecular Properties

Compound Name6-naphthalen-1-ylpiperidin-2-one
PubChem CID18916072
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name6-naphthalen-1-ylpiperidin-2-one
SMILESO=C1CCCC(c2cccc3ccccc23)N1
InChIInChI=1S/C15H15NO/c17-15-10-4-9-14(16-15)13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8,14H,4,9-10H2,(H,16,17)
InChIKeyHRQULBWPNBJMIC-UHFFFAOYSA-N
XLogP3.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-1-ylpiperidin-2-one?
The IUPAC name of 6-naphthalen-1-ylpiperidin-2-one (CID 18916072) is 6-naphthalen-1-ylpiperidin-2-one.
What is the SMILES notation for 6-naphthalen-1-ylpiperidin-2-one?
The canonical SMILES for 6-naphthalen-1-ylpiperidin-2-one is O=C1CCCC(c2cccc3ccccc23)N1.
What is the InChIKey of 6-naphthalen-1-ylpiperidin-2-one?
The InChIKey is HRQULBWPNBJMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c17-15-10-4-9-14(16-15)13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8,14H,4,9-10H2,(H,16,17).
What are the key properties of 6-naphthalen-1-ylpiperidin-2-one?
6-naphthalen-1-ylpiperidin-2-one has a molecular weight of 225.29 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-1-ylpiperidin-2-one is sourced from PubChem (CID 18916072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).