1-(4-methylpiperidin-1-yl)-2-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]ethanone

C26H31N5O — CID 163346995

About 1-(4-methylpiperidin-1-yl)-2-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]ethanone

1-(4-methylpiperidin-1-yl)-2-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]ethanone (PubChem CID 163346995) has the molecular formula C26H31N5O and a molecular weight of 429.57 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-2-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-(4-methylpiperidin-1-yl)-2-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]ethanone
• PubChem CID: 163346995
• Molecular Formula: C26H31N5O
• Molecular Weight: 429.57 g/mol
• Exact Mass: 429.25
• IUPAC Name: 1-(4-methylpiperidin-1-yl)-2-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]ethanone
• SMILES: CC1CCN(C(=O)CN2CCC(c3ccc4cc(-c5ccncc5)cnc4n3)CC2)CC1
• InChI: InChI=1S/C26H31N5O/c1-19-6-14-31(15-7-19)25(32)18-30-12-8-21(9-13-30)24-3-2-22-16-23(17-28-26(22)29-24)20-4-10-27-11-5-20/h2-5,10-11,16-17,19,21H,6-9,12-15,18H2,1H3
• InChIKey: CKNJTZLHXSZMLM-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 62.22 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.57
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]ethanone?

The IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]ethanone (CID 163346995) is 1-(4-methylpiperidin-1-yl)-2-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]ethanone.

What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-2-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]ethanone?

The canonical SMILES for 1-(4-methylpiperidin-1-yl)-2-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]ethanone is CC1CCN(C(=O)CN2CCC(c3ccc4cc(-c5ccncc5)cnc4n3)CC2)CC1.

What is the InChIKey of 1-(4-methylpiperidin-1-yl)-2-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]ethanone?

The InChIKey is CKNJTZLHXSZMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O/c1-19-6-14-31(15-7-19)25(32)18-30-12-8-21(9-13-30)24-3-2-22-16-23(17-28-26(22)29-24)20-4-10-27-11-5-20/h2-5,10-11,16-17,19,21H,6-9,12-15,18H2,1H3.

What are the key properties of 1-(4-methylpiperidin-1-yl)-2-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]ethanone?

1-(4-methylpiperidin-1-yl)-2-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]ethanone has a molecular weight of 429.57 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-methylpiperidin-1-yl)-2-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 163346995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).