N-[3-[1-[4-amino-2-methyl-5-(propylamino)pentyl]piperidin-4-yl]oxycyclobutyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide;ethane

C33H72N6O3 — CID 142368332

About N-[3-[1-[4-amino-2-methyl-5-(propylamino)pentyl]piperidin-4-yl]oxycyclobutyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide;ethane

N-[3-[1-[4-amino-2-methyl-5-(propylamino)pentyl]piperidin-4-yl]oxycyclobutyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide;ethane (PubChem CID 142368332) has the molecular formula C33H72N6O3 and a molecular weight of 600.98 g/mol. Its IUPAC name is N-[3-[1-[4-amino-2-methyl-5-(propylamino)pentyl]piperidin-4-yl]oxycyclobutyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide;ethane.

Molecular Properties

• Compound Name: N-[3-[1-[4-amino-2-methyl-5-(propylamino)pentyl]piperidin-4-yl]oxycyclobutyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide;ethane
• PubChem CID: 142368332
• Molecular Formula: C33H72N6O3
• Molecular Weight: 600.98 g/mol
• Exact Mass: 600.57
• IUPAC Name: N-[3-[1-[4-amino-2-methyl-5-(propylamino)pentyl]piperidin-4-yl]oxycyclobutyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide;ethane
• SMILES: CC.CC.CC.CCCNCC(N)CC(C)CN1CCC(OC2CC(NC(=O)CN3CCN(CCOC)CC3)C2)CC1
• InChI: InChI=1S/C27H54N6O3.3C2H6/c1-4-7-29-19-23(28)16-22(2)20-32-8-5-25(6-9-32)36-26-17-24(18-26)30-27(34)21-33-12-10-31(11-13-33)14-15-35-3;3*1-2/h22-26,29H,4-21,28H2,1-3H3,(H,30,34);3*1-2H3
• InChIKey: QDUIHXDRBQBGDW-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 95.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	600.98
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[4-amino-2-methyl-5-(propylamino)pentyl]piperidin-4-yl]oxycyclobutyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide;ethane?

The IUPAC name of N-[3-[1-[4-amino-2-methyl-5-(propylamino)pentyl]piperidin-4-yl]oxycyclobutyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide;ethane (CID 142368332) is N-[3-[1-[4-amino-2-methyl-5-(propylamino)pentyl]piperidin-4-yl]oxycyclobutyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide;ethane.

What is the SMILES notation for N-[3-[1-[4-amino-2-methyl-5-(propylamino)pentyl]piperidin-4-yl]oxycyclobutyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide;ethane?

The canonical SMILES for N-[3-[1-[4-amino-2-methyl-5-(propylamino)pentyl]piperidin-4-yl]oxycyclobutyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide;ethane is CC.CC.CC.CCCNCC(N)CC(C)CN1CCC(OC2CC(NC(=O)CN3CCN(CCOC)CC3)C2)CC1.

What is the InChIKey of N-[3-[1-[4-amino-2-methyl-5-(propylamino)pentyl]piperidin-4-yl]oxycyclobutyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide;ethane?

The InChIKey is QDUIHXDRBQBGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54N6O3.3C2H6/c1-4-7-29-19-23(28)16-22(2)20-32-8-5-25(6-9-32)36-26-17-24(18-26)30-27(34)21-33-12-10-31(11-13-33)14-15-35-3;3*1-2/h22-26,29H,4-21,28H2,1-3H3,(H,30,34);3*1-2H3.

What are the key properties of N-[3-[1-[4-amino-2-methyl-5-(propylamino)pentyl]piperidin-4-yl]oxycyclobutyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide;ethane?

N-[3-[1-[4-amino-2-methyl-5-(propylamino)pentyl]piperidin-4-yl]oxycyclobutyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide;ethane has a molecular weight of 600.98 g/mol, XLogP of 3.81, 16 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[1-[4-amino-2-methyl-5-(propylamino)pentyl]piperidin-4-yl]oxycyclobutyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide;ethane is sourced from PubChem (CID 142368332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).