1-[1-[[2-(3,5-dichlorophenyl)-6-[[6-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]oxy]-4-pyridinyl]methyl]piperidin-4-yl]-N-methylmethanamine;formamide

C32H43Cl2N7O3 — CID 153361660

About 1-[1-[[2-(3,5-dichlorophenyl)-6-[[6-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]oxy]-4-pyridinyl]methyl]piperidin-4-yl]-N-methylmethanamine;formamide

1-[1-[[2-(3,5-dichlorophenyl)-6-[[6-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]oxy]-4-pyridinyl]methyl]piperidin-4-yl]-N-methylmethanamine;formamide (PubChem CID 153361660) has the molecular formula C32H43Cl2N7O3 and a molecular weight of 644.65 g/mol. Its IUPAC name is 1-[1-[[2-(3,5-dichlorophenyl)-6-[[6-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]oxy]-4-pyridinyl]methyl]piperidin-4-yl]-N-methylmethanamine;formamide.

Molecular Properties

• Compound Name: 1-[1-[[2-(3,5-dichlorophenyl)-6-[[6-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]oxy]-4-pyridinyl]methyl]piperidin-4-yl]-N-methylmethanamine;formamide
• PubChem CID: 153361660
• Molecular Formula: C32H43Cl2N7O3
• Molecular Weight: 644.65 g/mol
• Exact Mass: 643.28
• IUPAC Name: 1-[1-[[2-(3,5-dichlorophenyl)-6-[[6-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]oxy]-4-pyridinyl]methyl]piperidin-4-yl]-N-methylmethanamine;formamide
• SMILES: CNCC1CCN(Cc2cc(Oc3ccc(N4CCN(CCOC)CC4)nc3)nc(-c3cc(Cl)cc(Cl)c3)c2)CC1.NC=O
• InChI: InChI=1S/C31H40Cl2N6O2.CH3NO/c1-34-20-23-5-7-38(8-6-23)22-24-15-29(25-17-26(32)19-27(33)18-25)36-31(16-24)41-28-3-4-30(35-21-28)39-11-9-37(10-12-39)13-14-40-2;2-1-3/h3-4,15-19,21,23,34H,5-14,20,22H2,1-2H3;1H,(H2,2,3)
• InChIKey: HRFWKGHOAPDWQW-UHFFFAOYSA-N
• XLogP: 4.54
• TPSA: 109.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	644.65
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[2-(3,5-dichlorophenyl)-6-[[6-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]oxy]-4-pyridinyl]methyl]piperidin-4-yl]-N-methylmethanamine;formamide?

The IUPAC name of 1-[1-[[2-(3,5-dichlorophenyl)-6-[[6-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]oxy]-4-pyridinyl]methyl]piperidin-4-yl]-N-methylmethanamine;formamide (CID 153361660) is 1-[1-[[2-(3,5-dichlorophenyl)-6-[[6-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]oxy]-4-pyridinyl]methyl]piperidin-4-yl]-N-methylmethanamine;formamide.

What is the SMILES notation for 1-[1-[[2-(3,5-dichlorophenyl)-6-[[6-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]oxy]-4-pyridinyl]methyl]piperidin-4-yl]-N-methylmethanamine;formamide?

The canonical SMILES for 1-[1-[[2-(3,5-dichlorophenyl)-6-[[6-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]oxy]-4-pyridinyl]methyl]piperidin-4-yl]-N-methylmethanamine;formamide is CNCC1CCN(Cc2cc(Oc3ccc(N4CCN(CCOC)CC4)nc3)nc(-c3cc(Cl)cc(Cl)c3)c2)CC1.NC=O.

What is the InChIKey of 1-[1-[[2-(3,5-dichlorophenyl)-6-[[6-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]oxy]-4-pyridinyl]methyl]piperidin-4-yl]-N-methylmethanamine;formamide?

The InChIKey is HRFWKGHOAPDWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40Cl2N6O2.CH3NO/c1-34-20-23-5-7-38(8-6-23)22-24-15-29(25-17-26(32)19-27(33)18-25)36-31(16-24)41-28-3-4-30(35-21-28)39-11-9-37(10-12-39)13-14-40-2;2-1-3/h3-4,15-19,21,23,34H,5-14,20,22H2,1-2H3;1H,(H2,2,3).

What are the key properties of 1-[1-[[2-(3,5-dichlorophenyl)-6-[[6-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]oxy]-4-pyridinyl]methyl]piperidin-4-yl]-N-methylmethanamine;formamide?

1-[1-[[2-(3,5-dichlorophenyl)-6-[[6-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]oxy]-4-pyridinyl]methyl]piperidin-4-yl]-N-methylmethanamine;formamide has a molecular weight of 644.65 g/mol, XLogP of 4.54, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[[2-(3,5-dichlorophenyl)-6-[[6-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]oxy]-4-pyridinyl]methyl]piperidin-4-yl]-N-methylmethanamine;formamide is sourced from PubChem (CID 153361660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).