N-(1,7-diphenylheptan-4-yl)-2-[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidin-4-yl]acetamide;N-(1,7-diphenylheptan-4-yl)-2-piperidin-4-ylacetamide;methane;5-(oxiran-2-ylmethoxy)quinoline

C77H98N6O6 — CID 159398368

About N-(1,7-diphenylheptan-4-yl)-2-[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidin-4-yl]acetamide;N-(1,7-diphenylheptan-4-yl)-2-piperidin-4-ylacetamide;methane;5-(oxiran-2-ylmethoxy)quinoline

N-(1,7-diphenylheptan-4-yl)-2-[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidin-4-yl]acetamide;N-(1,7-diphenylheptan-4-yl)-2-piperidin-4-ylacetamide;methane;5-(oxiran-2-ylmethoxy)quinoline (PubChem CID 159398368) has the molecular formula C77H98N6O6 and a molecular weight of 1203.67 g/mol. Its IUPAC name is N-(1,7-diphenylheptan-4-yl)-2-[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidin-4-yl]acetamide;N-(1,7-diphenylheptan-4-yl)-2-piperidin-4-ylacetamide;methane;5-(oxiran-2-ylmethoxy)quinoline.

Molecular Properties

• Compound Name: N-(1,7-diphenylheptan-4-yl)-2-[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidin-4-yl]acetamide;N-(1,7-diphenylheptan-4-yl)-2-piperidin-4-ylacetamide;methane;5-(oxiran-2-ylmethoxy)quinoline
• PubChem CID: 159398368
• Molecular Formula: C77H98N6O6
• Molecular Weight: 1203.67 g/mol
• Exact Mass: 1202.75
• IUPAC Name: N-(1,7-diphenylheptan-4-yl)-2-[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidin-4-yl]acetamide;N-(1,7-diphenylheptan-4-yl)-2-piperidin-4-ylacetamide;methane;5-(oxiran-2-ylmethoxy)quinoline
• SMILES: C.O=C(CC1CCN(CC(O)COc2cccc3ncccc23)CC1)NC(CCCc1ccccc1)CCCc1ccccc1.O=C(CC1CCNCC1)NC(CCCc1ccccc1)CCCc1ccccc1.c1cc(OCC2CO2)c2cccnc2c1
• InChI: InChI=1S/C38H47N3O3.C26H36N2O.C12H11NO2.CH4/c42-34(29-44-37-21-9-20-36-35(37)19-10-24-39-36)28-41-25-22-32(23-26-41)27-38(43)40-33(17-7-15-30-11-3-1-4-12-30)18-8-16-31-13-5-2-6-14-31;29-26(21-24-17-19-27-20-18-24)28-25(15-7-13-22-9-3-1-4-10-22)16-8-14-23-11-5-2-6-12-23;1-4-11-10(3-2-6-13-11)12(5-1)15-8-9-7-14-9;/h1-6,9-14,19-21,24,32-34,42H,7-8,15-18,22-23,25-29H2,(H,40,43);1-6,9-12,24-25,27H,7-8,13-21H2,(H,28,29);1-6,9H,7-8H2;1H4
• InChIKey: LNAGKNZXFDOKEL-UHFFFAOYSA-N
• XLogP: 14.16
• TPSA: 150.47 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 30
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1203.67
LogP ≤ 5	14.16
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(1,7-diphenylheptan-4-yl)-2-[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidin-4-yl]acetamide;N-(1,7-diphenylheptan-4-yl)-2-piperidin-4-ylacetamide;methane;5-(oxiran-2-ylmethoxy)quinoline?

The IUPAC name of N-(1,7-diphenylheptan-4-yl)-2-[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidin-4-yl]acetamide;N-(1,7-diphenylheptan-4-yl)-2-piperidin-4-ylacetamide;methane;5-(oxiran-2-ylmethoxy)quinoline (CID 159398368) is N-(1,7-diphenylheptan-4-yl)-2-[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidin-4-yl]acetamide;N-(1,7-diphenylheptan-4-yl)-2-piperidin-4-ylacetamide;methane;5-(oxiran-2-ylmethoxy)quinoline.

What is the SMILES notation for N-(1,7-diphenylheptan-4-yl)-2-[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidin-4-yl]acetamide;N-(1,7-diphenylheptan-4-yl)-2-piperidin-4-ylacetamide;methane;5-(oxiran-2-ylmethoxy)quinoline?

The canonical SMILES for N-(1,7-diphenylheptan-4-yl)-2-[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidin-4-yl]acetamide;N-(1,7-diphenylheptan-4-yl)-2-piperidin-4-ylacetamide;methane;5-(oxiran-2-ylmethoxy)quinoline is C.O=C(CC1CCN(CC(O)COc2cccc3ncccc23)CC1)NC(CCCc1ccccc1)CCCc1ccccc1.O=C(CC1CCNCC1)NC(CCCc1ccccc1)CCCc1ccccc1.c1cc(OCC2CO2)c2cccnc2c1.

What is the InChIKey of N-(1,7-diphenylheptan-4-yl)-2-[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidin-4-yl]acetamide;N-(1,7-diphenylheptan-4-yl)-2-piperidin-4-ylacetamide;methane;5-(oxiran-2-ylmethoxy)quinoline?

The InChIKey is LNAGKNZXFDOKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H47N3O3.C26H36N2O.C12H11NO2.CH4/c42-34(29-44-37-21-9-20-36-35(37)19-10-24-39-36)28-41-25-22-32(23-26-41)27-38(43)40-33(17-7-15-30-11-3-1-4-12-30)18-8-16-31-13-5-2-6-14-31;29-26(21-24-17-19-27-20-18-24)28-25(15-7-13-22-9-3-1-4-10-22)16-8-14-23-11-5-2-6-12-23;1-4-11-10(3-2-6-13-11)12(5-1)15-8-9-7-14-9;/h1-6,9-14,19-21,24,32-34,42H,7-8,15-18,22-23,25-29H2,(H,40,43);1-6,9-12,24-25,27H,7-8,13-21H2,(H,28,29);1-6,9H,7-8H2;1H4.

What are the key properties of N-(1,7-diphenylheptan-4-yl)-2-[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidin-4-yl]acetamide;N-(1,7-diphenylheptan-4-yl)-2-piperidin-4-ylacetamide;methane;5-(oxiran-2-ylmethoxy)quinoline?

N-(1,7-diphenylheptan-4-yl)-2-[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidin-4-yl]acetamide;N-(1,7-diphenylheptan-4-yl)-2-piperidin-4-ylacetamide;methane;5-(oxiran-2-ylmethoxy)quinoline has a molecular weight of 1203.67 g/mol, XLogP of 14.16, 30 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,7-diphenylheptan-4-yl)-2-[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidin-4-yl]acetamide;N-(1,7-diphenylheptan-4-yl)-2-piperidin-4-ylacetamide;methane;5-(oxiran-2-ylmethoxy)quinoline is sourced from PubChem (CID 159398368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).