3-(1-naphthalen-1-ylethylamino)piperidin-2-one

C17H20N2O — CID 62094476

IUPAC3-(1-naphthalen-1-ylethylamino)piperidin-2-one
SMILESCC(NC1CCCNC1=O)c1cccc2ccccc12
InChIInChI=1S/C17H20N2O/c1-12(19-16-10-5-11-18-17(16)20)14-9-4-7-13-6-2-3-8-15(13)14/h2-4,6-9,12,16,19H,5,10-11H2,1H3,(H,18,20)
InChIKeyCBQRWVHVBZEOOF-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.77
Rot. Bonds3

About 3-(1-naphthalen-1-ylethylamino)piperidin-2-one

3-(1-naphthalen-1-ylethylamino)piperidin-2-one (PubChem CID 62094476) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-(1-naphthalen-1-ylethylamino)piperidin-2-one.

Molecular Properties

Compound Name3-(1-naphthalen-1-ylethylamino)piperidin-2-one
PubChem CID62094476
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name3-(1-naphthalen-1-ylethylamino)piperidin-2-one
SMILESCC(NC1CCCNC1=O)c1cccc2ccccc12
InChIInChI=1S/C17H20N2O/c1-12(19-16-10-5-11-18-17(16)20)14-9-4-7-13-6-2-3-8-15(13)14/h2-4,6-9,12,16,19H,5,10-11H2,1H3,(H,18,20)
InChIKeyCBQRWVHVBZEOOF-UHFFFAOYSA-N
XLogP2.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(1-naphthalen-1-ylethylamino)piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1-naphthalen-1-ylethylamino)piperidin-2-one?
The IUPAC name of 3-(1-naphthalen-1-ylethylamino)piperidin-2-one (CID 62094476) is 3-(1-naphthalen-1-ylethylamino)piperidin-2-one.
What is the SMILES notation for 3-(1-naphthalen-1-ylethylamino)piperidin-2-one?
The canonical SMILES for 3-(1-naphthalen-1-ylethylamino)piperidin-2-one is CC(NC1CCCNC1=O)c1cccc2ccccc12.
What is the InChIKey of 3-(1-naphthalen-1-ylethylamino)piperidin-2-one?
The InChIKey is CBQRWVHVBZEOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12(19-16-10-5-11-18-17(16)20)14-9-4-7-13-6-2-3-8-15(13)14/h2-4,6-9,12,16,19H,5,10-11H2,1H3,(H,18,20).
What are the key properties of 3-(1-naphthalen-1-ylethylamino)piperidin-2-one?
3-(1-naphthalen-1-ylethylamino)piperidin-2-one has a molecular weight of 268.36 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-naphthalen-1-ylethylamino)piperidin-2-one is sourced from PubChem (CID 62094476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).