6-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one

C16H19N3O2 — CID 52950435

IUPAC6-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2cc(/C=C/C(=O)N3CCCCC3)cnc2N1
InChIInChI=1S/C16H19N3O2/c20-14-6-5-13-10-12(11-17-16(13)18-14)4-7-15(21)19-8-2-1-3-9-19/h4,7,10-11H,1-3,5-6,8-9H2,(H,17,18,20)/b7-4+
InChIKeyWGWUWXYHWXPSCP-QPJJXVBHSA-N
MW285.35 g/mol
LogP1.99
Rot. Bonds2

About 6-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one

6-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 52950435) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 6-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID52950435
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name6-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2cc(/C=C/C(=O)N3CCCCC3)cnc2N1
InChIInChI=1S/C16H19N3O2/c20-14-6-5-13-10-12(11-17-16(13)18-14)4-7-15(21)19-8-2-1-3-9-19/h4,7,10-11H,1-3,5-6,8-9H2,(H,17,18,20)/b7-4+
InChIKeyWGWUWXYHWXPSCP-QPJJXVBHSA-N
XLogP1.99
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 6-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 52950435) is 6-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 6-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one is O=C1CCc2cc(/C=C/C(=O)N3CCCCC3)cnc2N1.
What is the InChIKey of 6-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is WGWUWXYHWXPSCP-QPJJXVBHSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-14-6-5-13-10-12(11-17-16(13)18-14)4-7-15(21)19-8-2-1-3-9-19/h4,7,10-11H,1-3,5-6,8-9H2,(H,17,18,20)/b7-4+.
What are the key properties of 6-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
6-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 285.35 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 52950435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).