furan-3-yl-[(2R)-2-[2-[3-[[methyl(quinolin-8-ylmethyl)amino]methyl]phenoxy]ethyl]piperidin-1-yl]methanone

C30H33N3O3 — CID 26278428

About furan-3-yl-[(2R)-2-[2-[3-[[methyl(quinolin-8-ylmethyl)amino]methyl]phenoxy]ethyl]piperidin-1-yl]methanone

furan-3-yl-[(2R)-2-[2-[3-[[methyl(quinolin-8-ylmethyl)amino]methyl]phenoxy]ethyl]piperidin-1-yl]methanone (PubChem CID 26278428) has the molecular formula C30H33N3O3 and a molecular weight of 483.61 g/mol. Its IUPAC name is furan-3-yl-[(2R)-2-[2-[3-[[methyl(quinolin-8-ylmethyl)amino]methyl]phenoxy]ethyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: furan-3-yl-[(2R)-2-[2-[3-[[methyl(quinolin-8-ylmethyl)amino]methyl]phenoxy]ethyl]piperidin-1-yl]methanone
• PubChem CID: 26278428
• Molecular Formula: C30H33N3O3
• Molecular Weight: 483.61 g/mol
• Exact Mass: 483.25
• IUPAC Name: furan-3-yl-[(2R)-2-[2-[3-[[methyl(quinolin-8-ylmethyl)amino]methyl]phenoxy]ethyl]piperidin-1-yl]methanone
• SMILES: CN(Cc1cccc(OCC[C@H]2CCCCN2C(=O)c2ccoc2)c1)Cc1cccc2cccnc12
• InChI: InChI=1S/C30H33N3O3/c1-32(21-25-9-5-8-24-10-6-15-31-29(24)25)20-23-7-4-12-28(19-23)36-18-14-27-11-2-3-16-33(27)30(34)26-13-17-35-22-26/h4-10,12-13,15,17,19,22,27H,2-3,11,14,16,18,20-21H2,1H3/t27-/m1/s1
• InChIKey: CKJSLWPVJBYSPK-HHHXNRCGSA-N
• XLogP: 5.92
• TPSA: 58.81 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.61
LogP ≤ 5	5.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[(2R)-2-[2-[3-[[methyl(quinolin-8-ylmethyl)amino]methyl]phenoxy]ethyl]piperidin-1-yl]methanone?

The IUPAC name of furan-3-yl-[(2R)-2-[2-[3-[[methyl(quinolin-8-ylmethyl)amino]methyl]phenoxy]ethyl]piperidin-1-yl]methanone (CID 26278428) is furan-3-yl-[(2R)-2-[2-[3-[[methyl(quinolin-8-ylmethyl)amino]methyl]phenoxy]ethyl]piperidin-1-yl]methanone.

What is the SMILES notation for furan-3-yl-[(2R)-2-[2-[3-[[methyl(quinolin-8-ylmethyl)amino]methyl]phenoxy]ethyl]piperidin-1-yl]methanone?

The canonical SMILES for furan-3-yl-[(2R)-2-[2-[3-[[methyl(quinolin-8-ylmethyl)amino]methyl]phenoxy]ethyl]piperidin-1-yl]methanone is CN(Cc1cccc(OCC[C@H]2CCCCN2C(=O)c2ccoc2)c1)Cc1cccc2cccnc12.

What is the InChIKey of furan-3-yl-[(2R)-2-[2-[3-[[methyl(quinolin-8-ylmethyl)amino]methyl]phenoxy]ethyl]piperidin-1-yl]methanone?

The InChIKey is CKJSLWPVJBYSPK-HHHXNRCGSA-N. The full InChI is InChI=1S/C30H33N3O3/c1-32(21-25-9-5-8-24-10-6-15-31-29(24)25)20-23-7-4-12-28(19-23)36-18-14-27-11-2-3-16-33(27)30(34)26-13-17-35-22-26/h4-10,12-13,15,17,19,22,27H,2-3,11,14,16,18,20-21H2,1H3/t27-/m1/s1.

What are the key properties of furan-3-yl-[(2R)-2-[2-[3-[[methyl(quinolin-8-ylmethyl)amino]methyl]phenoxy]ethyl]piperidin-1-yl]methanone?

furan-3-yl-[(2R)-2-[2-[3-[[methyl(quinolin-8-ylmethyl)amino]methyl]phenoxy]ethyl]piperidin-1-yl]methanone has a molecular weight of 483.61 g/mol, XLogP of 5.92, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for furan-3-yl-[(2R)-2-[2-[3-[[methyl(quinolin-8-ylmethyl)amino]methyl]phenoxy]ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 26278428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).