3-[(naphthalen-1-ylamino)methyl]piperidine-2,6-dione

C16H16N2O2 — CID 69088196

IUPAC3-[(naphthalen-1-ylamino)methyl]piperidine-2,6-dione
SMILESO=C1CCC(CNc2cccc3ccccc23)C(=O)N1
InChIInChI=1S/C16H16N2O2/c19-15-9-8-12(16(20)18-15)10-17-14-7-3-5-11-4-1-2-6-13(11)14/h1-7,12,17H,8-10H2,(H,18,19,20)
InChIKeyZMEGPNIKGMBUKM-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.30
Rot. Bonds3

About 3-[(naphthalen-1-ylamino)methyl]piperidine-2,6-dione

3-[(naphthalen-1-ylamino)methyl]piperidine-2,6-dione (PubChem CID 69088196) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-[(naphthalen-1-ylamino)methyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(naphthalen-1-ylamino)methyl]piperidine-2,6-dione
PubChem CID69088196
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name3-[(naphthalen-1-ylamino)methyl]piperidine-2,6-dione
SMILESO=C1CCC(CNc2cccc3ccccc23)C(=O)N1
InChIInChI=1S/C16H16N2O2/c19-15-9-8-12(16(20)18-15)10-17-14-7-3-5-11-4-1-2-6-13(11)14/h1-7,12,17H,8-10H2,(H,18,19,20)
InChIKeyZMEGPNIKGMBUKM-UHFFFAOYSA-N
XLogP2.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(naphthalen-1-ylamino)methyl]piperidine-2,6-dione?
The IUPAC name of 3-[(naphthalen-1-ylamino)methyl]piperidine-2,6-dione (CID 69088196) is 3-[(naphthalen-1-ylamino)methyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[(naphthalen-1-ylamino)methyl]piperidine-2,6-dione?
The canonical SMILES for 3-[(naphthalen-1-ylamino)methyl]piperidine-2,6-dione is O=C1CCC(CNc2cccc3ccccc23)C(=O)N1.
What is the InChIKey of 3-[(naphthalen-1-ylamino)methyl]piperidine-2,6-dione?
The InChIKey is ZMEGPNIKGMBUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-15-9-8-12(16(20)18-15)10-17-14-7-3-5-11-4-1-2-6-13(11)14/h1-7,12,17H,8-10H2,(H,18,19,20).
What are the key properties of 3-[(naphthalen-1-ylamino)methyl]piperidine-2,6-dione?
3-[(naphthalen-1-ylamino)methyl]piperidine-2,6-dione has a molecular weight of 268.32 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(naphthalen-1-ylamino)methyl]piperidine-2,6-dione is sourced from PubChem (CID 69088196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).