[8-(3-ethyl-4-methylcyclohexa-1,3-dien-1-yl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone

C23H31N3O — CID 166887012

About [8-(3-ethyl-4-methylcyclohexa-1,3-dien-1-yl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone

[8-(3-ethyl-4-methylcyclohexa-1,3-dien-1-yl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone (PubChem CID 166887012) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is [8-(3-ethyl-4-methylcyclohexa-1,3-dien-1-yl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

• Compound Name: [8-(3-ethyl-4-methylcyclohexa-1,3-dien-1-yl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone
• PubChem CID: 166887012
• Molecular Formula: C23H31N3O
• Molecular Weight: 365.52 g/mol
• Exact Mass: 365.25
• IUPAC Name: [8-(3-ethyl-4-methylcyclohexa-1,3-dien-1-yl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone
• SMILES: CCC1=C(C)CCC(N2CCCc3cc(C(=O)N4CCCCC4)cnc32)=C1
• InChI: InChI=1S/C23H31N3O/c1-3-18-15-21(10-9-17(18)2)26-13-7-8-19-14-20(16-24-22(19)26)23(27)25-11-5-4-6-12-25/h14-16H,3-13H2,1-2H3
• InChIKey: LAIWQAHGDIUYIV-UHFFFAOYSA-N
• XLogP: 4.86
• TPSA: 36.44 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.52
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [8-(3-ethyl-4-methylcyclohexa-1,3-dien-1-yl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone?

The IUPAC name of [8-(3-ethyl-4-methylcyclohexa-1,3-dien-1-yl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone (CID 166887012) is [8-(3-ethyl-4-methylcyclohexa-1,3-dien-1-yl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone.

What is the SMILES notation for [8-(3-ethyl-4-methylcyclohexa-1,3-dien-1-yl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone?

The canonical SMILES for [8-(3-ethyl-4-methylcyclohexa-1,3-dien-1-yl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone is CCC1=C(C)CCC(N2CCCc3cc(C(=O)N4CCCCC4)cnc32)=C1.

What is the InChIKey of [8-(3-ethyl-4-methylcyclohexa-1,3-dien-1-yl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone?

The InChIKey is LAIWQAHGDIUYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-3-18-15-21(10-9-17(18)2)26-13-7-8-19-14-20(16-24-22(19)26)23(27)25-11-5-4-6-12-25/h14-16H,3-13H2,1-2H3.

What are the key properties of [8-(3-ethyl-4-methylcyclohexa-1,3-dien-1-yl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone?

[8-(3-ethyl-4-methylcyclohexa-1,3-dien-1-yl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 365.52 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [8-(3-ethyl-4-methylcyclohexa-1,3-dien-1-yl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 166887012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).