(3R)-1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[(2-phenylpropan-2-ylamino)methyl]piperidin-2-one

C22H26F2N2O2 — CID 95200430

About (3R)-1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[(2-phenylpropan-2-ylamino)methyl]piperidin-2-one

(3R)-1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[(2-phenylpropan-2-ylamino)methyl]piperidin-2-one (PubChem CID 95200430) has the molecular formula C22H26F2N2O2 and a molecular weight of 388.46 g/mol. Its IUPAC name is (3R)-1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[(2-phenylpropan-2-ylamino)methyl]piperidin-2-one.

Molecular Properties

• Compound Name: (3R)-1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[(2-phenylpropan-2-ylamino)methyl]piperidin-2-one
• PubChem CID: 95200430
• Molecular Formula: C22H26F2N2O2
• Molecular Weight: 388.46 g/mol
• Exact Mass: 388.20
• IUPAC Name: (3R)-1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[(2-phenylpropan-2-ylamino)methyl]piperidin-2-one
• SMILES: CC(C)(NC[C@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O)c1ccccc1
• InChI: InChI=1S/C22H26F2N2O2/c1-21(2,17-7-4-3-5-8-17)25-15-22(28)11-6-12-26(20(22)27)14-16-9-10-18(23)19(24)13-16/h3-5,7-10,13,25,28H,6,11-12,14-15H2,1-2H3/t22-/m1/s1
• InChIKey: QIPSOTUZGANKNL-JOCHJYFZSA-N
• XLogP: 3.34
• TPSA: 52.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.46
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[(2-phenylpropan-2-ylamino)methyl]piperidin-2-one?

The IUPAC name of (3R)-1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[(2-phenylpropan-2-ylamino)methyl]piperidin-2-one (CID 95200430) is (3R)-1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[(2-phenylpropan-2-ylamino)methyl]piperidin-2-one.

What is the SMILES notation for (3R)-1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[(2-phenylpropan-2-ylamino)methyl]piperidin-2-one?

The canonical SMILES for (3R)-1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[(2-phenylpropan-2-ylamino)methyl]piperidin-2-one is CC(C)(NC[C@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O)c1ccccc1.

What is the InChIKey of (3R)-1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[(2-phenylpropan-2-ylamino)methyl]piperidin-2-one?

The InChIKey is QIPSOTUZGANKNL-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H26F2N2O2/c1-21(2,17-7-4-3-5-8-17)25-15-22(28)11-6-12-26(20(22)27)14-16-9-10-18(23)19(24)13-16/h3-5,7-10,13,25,28H,6,11-12,14-15H2,1-2H3/t22-/m1/s1.

What are the key properties of (3R)-1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[(2-phenylpropan-2-ylamino)methyl]piperidin-2-one?

(3R)-1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[(2-phenylpropan-2-ylamino)methyl]piperidin-2-one has a molecular weight of 388.46 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[(2-phenylpropan-2-ylamino)methyl]piperidin-2-one is sourced from PubChem (CID 95200430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).