(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-2-phenylacetamide

C25H30F2N2O3 — CID 10646948

About (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-2-phenylacetamide

(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-2-phenylacetamide (PubChem CID 10646948) has the molecular formula C25H30F2N2O3 and a molecular weight of 444.52 g/mol. Its IUPAC name is (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-2-phenylacetamide.

Molecular Properties

• Compound Name: (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-2-phenylacetamide
• PubChem CID: 10646948
• Molecular Formula: C25H30F2N2O3
• Molecular Weight: 444.52 g/mol
• Exact Mass: 444.22
• IUPAC Name: (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-2-phenylacetamide
• SMILES: O=C(NC1CCN(Cc2cccc(O)c2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1
• InChI: InChI=1S/C25H30F2N2O3/c26-24(27)12-9-20(16-24)25(32,19-6-2-1-3-7-19)23(31)28-21-10-13-29(14-11-21)17-18-5-4-8-22(30)15-18/h1-8,15,20-21,30,32H,9-14,16-17H2,(H,28,31)/t20-,25+/m1/s1
• InChIKey: SRNHSTWHMJIPBN-NLFFAJNJSA-N
• XLogP: 3.80
• TPSA: 72.80 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.52
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-2-phenylacetamide?

The IUPAC name of (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-2-phenylacetamide (CID 10646948) is (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-2-phenylacetamide.

What is the SMILES notation for (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-2-phenylacetamide?

The canonical SMILES for (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-2-phenylacetamide is O=C(NC1CCN(Cc2cccc(O)c2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1.

What is the InChIKey of (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-2-phenylacetamide?

The InChIKey is SRNHSTWHMJIPBN-NLFFAJNJSA-N. The full InChI is InChI=1S/C25H30F2N2O3/c26-24(27)12-9-20(16-24)25(32,19-6-2-1-3-7-19)23(31)28-21-10-13-29(14-11-21)17-18-5-4-8-22(30)15-18/h1-8,15,20-21,30,32H,9-14,16-17H2,(H,28,31)/t20-,25+/m1/s1.

What are the key properties of (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-2-phenylacetamide?

(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-2-phenylacetamide has a molecular weight of 444.52 g/mol, XLogP of 3.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-2-phenylacetamide is sourced from PubChem (CID 10646948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).