2-[4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]pyridine-3-carbonyl]piperazin-1-yl]-1-piperidin-1-ylethanone

C24H29Cl2N5O3 — CID 58886146

About 2-[4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]pyridine-3-carbonyl]piperazin-1-yl]-1-piperidin-1-ylethanone

2-[4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]pyridine-3-carbonyl]piperazin-1-yl]-1-piperidin-1-ylethanone (PubChem CID 58886146) has the molecular formula C24H29Cl2N5O3 and a molecular weight of 506.43 g/mol. Its IUPAC name is 2-[4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]pyridine-3-carbonyl]piperazin-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

• Compound Name: 2-[4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]pyridine-3-carbonyl]piperazin-1-yl]-1-piperidin-1-ylethanone
• PubChem CID: 58886146
• Molecular Formula: C24H29Cl2N5O3
• Molecular Weight: 506.43 g/mol
• Exact Mass: 505.16
• IUPAC Name: 2-[4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]pyridine-3-carbonyl]piperazin-1-yl]-1-piperidin-1-ylethanone
• SMILES: Nc1ncc(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)cc1OCc1c(Cl)cccc1Cl
• InChI: InChI=1S/C24H29Cl2N5O3/c25-19-5-4-6-20(26)18(19)16-34-21-13-17(14-28-23(21)27)24(33)31-11-9-29(10-12-31)15-22(32)30-7-2-1-3-8-30/h4-6,13-14H,1-3,7-12,15-16H2,(H2,27,28)
• InChIKey: OKDGBUQIUIOARU-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 92.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.43
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]pyridine-3-carbonyl]piperazin-1-yl]-1-piperidin-1-ylethanone?

The IUPAC name of 2-[4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]pyridine-3-carbonyl]piperazin-1-yl]-1-piperidin-1-ylethanone (CID 58886146) is 2-[4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]pyridine-3-carbonyl]piperazin-1-yl]-1-piperidin-1-ylethanone.

What is the SMILES notation for 2-[4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]pyridine-3-carbonyl]piperazin-1-yl]-1-piperidin-1-ylethanone?

The canonical SMILES for 2-[4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]pyridine-3-carbonyl]piperazin-1-yl]-1-piperidin-1-ylethanone is Nc1ncc(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)cc1OCc1c(Cl)cccc1Cl.

What is the InChIKey of 2-[4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]pyridine-3-carbonyl]piperazin-1-yl]-1-piperidin-1-ylethanone?

The InChIKey is OKDGBUQIUIOARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29Cl2N5O3/c25-19-5-4-6-20(26)18(19)16-34-21-13-17(14-28-23(21)27)24(33)31-11-9-29(10-12-31)15-22(32)30-7-2-1-3-8-30/h4-6,13-14H,1-3,7-12,15-16H2,(H2,27,28).

What are the key properties of 2-[4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]pyridine-3-carbonyl]piperazin-1-yl]-1-piperidin-1-ylethanone?

2-[4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]pyridine-3-carbonyl]piperazin-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 506.43 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]pyridine-3-carbonyl]piperazin-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 58886146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).