5-piperidin-1-yl-1-[4-[4-(piperidin-4-ylamino)-1,6-naphthyridin-2-yl]phenyl]pentan-1-one

C29H37N5O — CID 160614517

About 5-piperidin-1-yl-1-[4-[4-(piperidin-4-ylamino)-1,6-naphthyridin-2-yl]phenyl]pentan-1-one

5-piperidin-1-yl-1-[4-[4-(piperidin-4-ylamino)-1,6-naphthyridin-2-yl]phenyl]pentan-1-one (PubChem CID 160614517) has the molecular formula C29H37N5O and a molecular weight of 471.65 g/mol. Its IUPAC name is 5-piperidin-1-yl-1-[4-[4-(piperidin-4-ylamino)-1,6-naphthyridin-2-yl]phenyl]pentan-1-one.

Molecular Properties

• Compound Name: 5-piperidin-1-yl-1-[4-[4-(piperidin-4-ylamino)-1,6-naphthyridin-2-yl]phenyl]pentan-1-one
• PubChem CID: 160614517
• Molecular Formula: C29H37N5O
• Molecular Weight: 471.65 g/mol
• Exact Mass: 471.30
• IUPAC Name: 5-piperidin-1-yl-1-[4-[4-(piperidin-4-ylamino)-1,6-naphthyridin-2-yl]phenyl]pentan-1-one
• SMILES: O=C(CCCCN1CCCCC1)c1ccc(-c2cc(NC3CCNCC3)c3cnccc3n2)cc1
• InChI: InChI=1S/C29H37N5O/c35-29(6-2-5-19-34-17-3-1-4-18-34)23-9-7-22(8-10-23)27-20-28(32-24-11-14-30-15-12-24)25-21-31-16-13-26(25)33-27/h7-10,13,16,20-21,24,30H,1-6,11-12,14-15,17-19H2,(H,32,33)
• InChIKey: PWBLLEAYUMUFTC-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 70.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.65
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-yl-1-[4-[4-(piperidin-4-ylamino)-1,6-naphthyridin-2-yl]phenyl]pentan-1-one?

The IUPAC name of 5-piperidin-1-yl-1-[4-[4-(piperidin-4-ylamino)-1,6-naphthyridin-2-yl]phenyl]pentan-1-one (CID 160614517) is 5-piperidin-1-yl-1-[4-[4-(piperidin-4-ylamino)-1,6-naphthyridin-2-yl]phenyl]pentan-1-one.

What is the SMILES notation for 5-piperidin-1-yl-1-[4-[4-(piperidin-4-ylamino)-1,6-naphthyridin-2-yl]phenyl]pentan-1-one?

The canonical SMILES for 5-piperidin-1-yl-1-[4-[4-(piperidin-4-ylamino)-1,6-naphthyridin-2-yl]phenyl]pentan-1-one is O=C(CCCCN1CCCCC1)c1ccc(-c2cc(NC3CCNCC3)c3cnccc3n2)cc1.

What is the InChIKey of 5-piperidin-1-yl-1-[4-[4-(piperidin-4-ylamino)-1,6-naphthyridin-2-yl]phenyl]pentan-1-one?

The InChIKey is PWBLLEAYUMUFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N5O/c35-29(6-2-5-19-34-17-3-1-4-18-34)23-9-7-22(8-10-23)27-20-28(32-24-11-14-30-15-12-24)25-21-31-16-13-26(25)33-27/h7-10,13,16,20-21,24,30H,1-6,11-12,14-15,17-19H2,(H,32,33).

What are the key properties of 5-piperidin-1-yl-1-[4-[4-(piperidin-4-ylamino)-1,6-naphthyridin-2-yl]phenyl]pentan-1-one?

5-piperidin-1-yl-1-[4-[4-(piperidin-4-ylamino)-1,6-naphthyridin-2-yl]phenyl]pentan-1-one has a molecular weight of 471.65 g/mol, XLogP of 5.30, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-piperidin-1-yl-1-[4-[4-(piperidin-4-ylamino)-1,6-naphthyridin-2-yl]phenyl]pentan-1-one is sourced from PubChem (CID 160614517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).