N-[[6-[[2-(1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-2-pyridinyl]methyl]-2-morpholin-4-ylethanamine

C28H38N6O3 — CID 69290716

About N-[[6-[[2-(1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-2-pyridinyl]methyl]-2-morpholin-4-ylethanamine

N-[[6-[[2-(1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-2-pyridinyl]methyl]-2-morpholin-4-ylethanamine (PubChem CID 69290716) has the molecular formula C28H38N6O3 and a molecular weight of 506.65 g/mol. Its IUPAC name is N-[[6-[[2-(1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-2-pyridinyl]methyl]-2-morpholin-4-ylethanamine.

Molecular Properties

• Compound Name: N-[[6-[[2-(1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-2-pyridinyl]methyl]-2-morpholin-4-ylethanamine
• PubChem CID: 69290716
• Molecular Formula: C28H38N6O3
• Molecular Weight: 506.65 g/mol
• Exact Mass: 506.30
• IUPAC Name: N-[[6-[[2-(1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-2-pyridinyl]methyl]-2-morpholin-4-ylethanamine
• SMILES: c1cc(CNCCN2CCOCC2)nc(OCC2CCC3CN(c4noc5ccccc45)CCN3C2)c1
• InChI: InChI=1S/C28H38N6O3/c1-2-6-26-25(5-1)28(31-37-26)34-13-12-33-19-22(8-9-24(33)20-34)21-36-27-7-3-4-23(30-27)18-29-10-11-32-14-16-35-17-15-32/h1-7,22,24,29H,8-21H2
• InChIKey: SSAIEZAUSIKMIO-UHFFFAOYSA-N
• XLogP: 2.62
• TPSA: 79.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.65
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[6-[[2-(1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-2-pyridinyl]methyl]-2-morpholin-4-ylethanamine?

The IUPAC name of N-[[6-[[2-(1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-2-pyridinyl]methyl]-2-morpholin-4-ylethanamine (CID 69290716) is N-[[6-[[2-(1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-2-pyridinyl]methyl]-2-morpholin-4-ylethanamine.

What is the SMILES notation for N-[[6-[[2-(1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-2-pyridinyl]methyl]-2-morpholin-4-ylethanamine?

The canonical SMILES for N-[[6-[[2-(1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-2-pyridinyl]methyl]-2-morpholin-4-ylethanamine is c1cc(CNCCN2CCOCC2)nc(OCC2CCC3CN(c4noc5ccccc45)CCN3C2)c1.

What is the InChIKey of N-[[6-[[2-(1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-2-pyridinyl]methyl]-2-morpholin-4-ylethanamine?

The InChIKey is SSAIEZAUSIKMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N6O3/c1-2-6-26-25(5-1)28(31-37-26)34-13-12-33-19-22(8-9-24(33)20-34)21-36-27-7-3-4-23(30-27)18-29-10-11-32-14-16-35-17-15-32/h1-7,22,24,29H,8-21H2.

What are the key properties of N-[[6-[[2-(1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-2-pyridinyl]methyl]-2-morpholin-4-ylethanamine?

N-[[6-[[2-(1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-2-pyridinyl]methyl]-2-morpholin-4-ylethanamine has a molecular weight of 506.65 g/mol, XLogP of 2.62, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-[[2-(1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-2-pyridinyl]methyl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 69290716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).