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

C26H32F2N2O2 — CID 10503358

IUPAC(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenylacetamide
SMILESCc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)c1
InChIInChI=1S/C26H32F2N2O2/c1-19-6-5-7-20(16-19)18-30-14-11-23(12-15-30)29-24(31)26(32,21-8-3-2-4-9-21)22-10-13-25(27,28)17-22/h2-9,16,22-23,32H,10-15,17-18H2,1H3,(H,29,31)/t22-,26+/m1/s1
InChIKeyZHLYDKYZZGUNHA-GJZUVCINSA-N
MW442.55 g/mol
LogP4.40
Rot. Bonds6

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

(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenylacetamide (PubChem CID 10503358) has the molecular formula C26H32F2N2O2 and a molecular weight of 442.55 g/mol. Its IUPAC name is (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenylacetamide
PubChem CID10503358
Molecular FormulaC26H32F2N2O2
Molecular Weight442.55 g/mol
Exact Mass442.24
IUPAC Name(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenylacetamide
SMILESCc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)c1
InChIInChI=1S/C26H32F2N2O2/c1-19-6-5-7-20(16-19)18-30-14-11-23(12-15-30)29-24(31)26(32,21-8-3-2-4-9-21)22-10-13-25(27,28)17-22/h2-9,16,22-23,32H,10-15,17-18H2,1H3,(H,29,31)/t22-,26+/m1/s1
InChIKeyZHLYDKYZZGUNHA-GJZUVCINSA-N
XLogP4.40
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.55
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenylacetamide?
The IUPAC name of (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenylacetamide (CID 10503358) is (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenylacetamide?
The canonical SMILES for (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenylacetamide is Cc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)c1.
What is the InChIKey of (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenylacetamide?
The InChIKey is ZHLYDKYZZGUNHA-GJZUVCINSA-N. The full InChI is InChI=1S/C26H32F2N2O2/c1-19-6-5-7-20(16-19)18-30-14-11-23(12-15-30)29-24(31)26(32,21-8-3-2-4-9-21)22-10-13-25(27,28)17-22/h2-9,16,22-23,32H,10-15,17-18H2,1H3,(H,29,31)/t22-,26+/m1/s1.
What are the key properties of (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenylacetamide?
(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenylacetamide has a molecular weight of 442.55 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenylacetamide is sourced from PubChem (CID 10503358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).