[(2R,4S)-2,4-diphenylpiperidin-1-yl]-[(3S,4R)-4-(2-pyridin-3-ylphenyl)pyrrolidin-3-yl]methanone

C33H33N3O — CID 42646059

About [(2R,4S)-2,4-diphenylpiperidin-1-yl]-[(3S,4R)-4-(2-pyridin-3-ylphenyl)pyrrolidin-3-yl]methanone

[(2R,4S)-2,4-diphenylpiperidin-1-yl]-[(3S,4R)-4-(2-pyridin-3-ylphenyl)pyrrolidin-3-yl]methanone (PubChem CID 42646059) has the molecular formula C33H33N3O and a molecular weight of 487.65 g/mol. Its IUPAC name is [(2R,4S)-2,4-diphenylpiperidin-1-yl]-[(3S,4R)-4-(2-pyridin-3-ylphenyl)pyrrolidin-3-yl]methanone.

Molecular Properties

• Compound Name: [(2R,4S)-2,4-diphenylpiperidin-1-yl]-[(3S,4R)-4-(2-pyridin-3-ylphenyl)pyrrolidin-3-yl]methanone
• PubChem CID: 42646059
• Molecular Formula: C33H33N3O
• Molecular Weight: 487.65 g/mol
• Exact Mass: 487.26
• IUPAC Name: [(2R,4S)-2,4-diphenylpiperidin-1-yl]-[(3S,4R)-4-(2-pyridin-3-ylphenyl)pyrrolidin-3-yl]methanone
• SMILES: O=C([C@@H]1CNC[C@H]1c1ccccc1-c1cccnc1)N1CC[C@H](c2ccccc2)C[C@@H]1c1ccccc1
• InChI: InChI=1S/C33H33N3O/c37-33(31-23-35-22-30(31)29-16-8-7-15-28(29)27-14-9-18-34-21-27)36-19-17-26(24-10-3-1-4-11-24)20-32(36)25-12-5-2-6-13-25/h1-16,18,21,26,30-32,35H,17,19-20,22-23H2/t26-,30-,31+,32+/m0/s1
• InChIKey: AFAKXXYRYLNVSR-HOXVFRLBSA-N
• XLogP: 6.20
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.65
LogP ≤ 5	6.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-2,4-diphenylpiperidin-1-yl]-[(3S,4R)-4-(2-pyridin-3-ylphenyl)pyrrolidin-3-yl]methanone?

The IUPAC name of [(2R,4S)-2,4-diphenylpiperidin-1-yl]-[(3S,4R)-4-(2-pyridin-3-ylphenyl)pyrrolidin-3-yl]methanone (CID 42646059) is [(2R,4S)-2,4-diphenylpiperidin-1-yl]-[(3S,4R)-4-(2-pyridin-3-ylphenyl)pyrrolidin-3-yl]methanone.

What is the SMILES notation for [(2R,4S)-2,4-diphenylpiperidin-1-yl]-[(3S,4R)-4-(2-pyridin-3-ylphenyl)pyrrolidin-3-yl]methanone?

The canonical SMILES for [(2R,4S)-2,4-diphenylpiperidin-1-yl]-[(3S,4R)-4-(2-pyridin-3-ylphenyl)pyrrolidin-3-yl]methanone is O=C([C@@H]1CNC[C@H]1c1ccccc1-c1cccnc1)N1CC[C@H](c2ccccc2)C[C@@H]1c1ccccc1.

What is the InChIKey of [(2R,4S)-2,4-diphenylpiperidin-1-yl]-[(3S,4R)-4-(2-pyridin-3-ylphenyl)pyrrolidin-3-yl]methanone?

The InChIKey is AFAKXXYRYLNVSR-HOXVFRLBSA-N. The full InChI is InChI=1S/C33H33N3O/c37-33(31-23-35-22-30(31)29-16-8-7-15-28(29)27-14-9-18-34-21-27)36-19-17-26(24-10-3-1-4-11-24)20-32(36)25-12-5-2-6-13-25/h1-16,18,21,26,30-32,35H,17,19-20,22-23H2/t26-,30-,31+,32+/m0/s1.

What are the key properties of [(2R,4S)-2,4-diphenylpiperidin-1-yl]-[(3S,4R)-4-(2-pyridin-3-ylphenyl)pyrrolidin-3-yl]methanone?

[(2R,4S)-2,4-diphenylpiperidin-1-yl]-[(3S,4R)-4-(2-pyridin-3-ylphenyl)pyrrolidin-3-yl]methanone has a molecular weight of 487.65 g/mol, XLogP of 6.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,4S)-2,4-diphenylpiperidin-1-yl]-[(3S,4R)-4-(2-pyridin-3-ylphenyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 42646059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).