6-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)spiro[2H-indole-3,1'-cyclopropane]

C37H48N2O5 — CID 59457292

About 6-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)spiro[2H-indole-3,1'-cyclopropane]

6-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)spiro[2H-indole-3,1'-cyclopropane] (PubChem CID 59457292) has the molecular formula C37H48N2O5 and a molecular weight of 600.80 g/mol. Its IUPAC name is 6-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)spiro[2H-indole-3,1'-cyclopropane].

Molecular Properties

• Compound Name: 6-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)spiro[2H-indole-3,1'-cyclopropane]
• PubChem CID: 59457292
• Molecular Formula: C37H48N2O5
• Molecular Weight: 600.80 g/mol
• Exact Mass: 600.36
• IUPAC Name: 6-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)spiro[2H-indole-3,1'-cyclopropane]
• SMILES: COCCCN1CC2(CC2)c2ccc(CO[C@H]3CNCC[C@@H]3c3ccc(OCCCOCc4ccccc4OC)cc3)cc21
• InChI: InChI=1S/C37H48N2O5/c1-40-20-5-19-39-27-37(16-17-37)33-14-9-28(23-34(33)39)25-44-36-24-38-18-15-32(36)29-10-12-31(13-11-29)43-22-6-21-42-26-30-7-3-4-8-35(30)41-2/h3-4,7-14,23,32,36,38H,5-6,15-22,24-27H2,1-2H3/t32-,36+/m1/s1
• InChIKey: VFCAQGNUEUEIRF-KUFVUHJUSA-N
• XLogP: 6.23
• TPSA: 61.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 16
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.80
LogP ≤ 5	6.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)spiro[2H-indole-3,1'-cyclopropane]?

The IUPAC name of 6-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)spiro[2H-indole-3,1'-cyclopropane] (CID 59457292) is 6-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)spiro[2H-indole-3,1'-cyclopropane].

What is the SMILES notation for 6-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)spiro[2H-indole-3,1'-cyclopropane]?

The canonical SMILES for 6-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)spiro[2H-indole-3,1'-cyclopropane] is COCCCN1CC2(CC2)c2ccc(CO[C@H]3CNCC[C@@H]3c3ccc(OCCCOCc4ccccc4OC)cc3)cc21.

What is the InChIKey of 6-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)spiro[2H-indole-3,1'-cyclopropane]?

The InChIKey is VFCAQGNUEUEIRF-KUFVUHJUSA-N. The full InChI is InChI=1S/C37H48N2O5/c1-40-20-5-19-39-27-37(16-17-37)33-14-9-28(23-34(33)39)25-44-36-24-38-18-15-32(36)29-10-12-31(13-11-29)43-22-6-21-42-26-30-7-3-4-8-35(30)41-2/h3-4,7-14,23,32,36,38H,5-6,15-22,24-27H2,1-2H3/t32-,36+/m1/s1.

What are the key properties of 6-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)spiro[2H-indole-3,1'-cyclopropane]?

6-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)spiro[2H-indole-3,1'-cyclopropane] has a molecular weight of 600.80 g/mol, XLogP of 6.23, 16 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)spiro[2H-indole-3,1'-cyclopropane] is sourced from PubChem (CID 59457292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).