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

C25H29F3N2O2 — CID 10551354

IUPAC(2R)-2-[(1R)-3,3-difluorocyclopentyl]-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-2-hydroxy-2-phenylacetamide
SMILESO=C(NC1CCN(Cc2cccc(F)c2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1
InChIInChI=1S/C25H29F3N2O2/c26-21-8-4-5-18(15-21)17-30-13-10-22(11-14-30)29-23(31)25(32,19-6-2-1-3-7-19)20-9-12-24(27,28)16-20/h1-8,15,20,22,32H,9-14,16-17H2,(H,29,31)/t20-,25+/m1/s1
InChIKeyHYOWZAANPMTHNJ-NLFFAJNJSA-N
MW446.51 g/mol
LogP4.23
Rot. Bonds6

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

(2R)-2-[(1R)-3,3-difluorocyclopentyl]-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-2-hydroxy-2-phenylacetamide (PubChem CID 10551354) has the molecular formula C25H29F3N2O2 and a molecular weight of 446.51 g/mol. Its IUPAC name is (2R)-2-[(1R)-3,3-difluorocyclopentyl]-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[(1R)-3,3-difluorocyclopentyl]-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-2-hydroxy-2-phenylacetamide
PubChem CID10551354
Molecular FormulaC25H29F3N2O2
Molecular Weight446.51 g/mol
Exact Mass446.22
IUPAC Name(2R)-2-[(1R)-3,3-difluorocyclopentyl]-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-2-hydroxy-2-phenylacetamide
SMILESO=C(NC1CCN(Cc2cccc(F)c2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1
InChIInChI=1S/C25H29F3N2O2/c26-21-8-4-5-18(15-21)17-30-13-10-22(11-14-30)29-23(31)25(32,19-6-2-1-3-7-19)20-9-12-24(27,28)16-20/h1-8,15,20,22,32H,9-14,16-17H2,(H,29,31)/t20-,25+/m1/s1
InChIKeyHYOWZAANPMTHNJ-NLFFAJNJSA-N
XLogP4.23
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[(1R)-3,3-difluorocyclopentyl]-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-2-hydroxy-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]-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-2-hydroxy-2-phenylacetamide?
The IUPAC name of (2R)-2-[(1R)-3,3-difluorocyclopentyl]-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-2-hydroxy-2-phenylacetamide (CID 10551354) is (2R)-2-[(1R)-3,3-difluorocyclopentyl]-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[(1R)-3,3-difluorocyclopentyl]-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-2-hydroxy-2-phenylacetamide?
The canonical SMILES for (2R)-2-[(1R)-3,3-difluorocyclopentyl]-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-2-hydroxy-2-phenylacetamide is O=C(NC1CCN(Cc2cccc(F)c2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1.
What is the InChIKey of (2R)-2-[(1R)-3,3-difluorocyclopentyl]-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-2-hydroxy-2-phenylacetamide?
The InChIKey is HYOWZAANPMTHNJ-NLFFAJNJSA-N. The full InChI is InChI=1S/C25H29F3N2O2/c26-21-8-4-5-18(15-21)17-30-13-10-22(11-14-30)29-23(31)25(32,19-6-2-1-3-7-19)20-9-12-24(27,28)16-20/h1-8,15,20,22,32H,9-14,16-17H2,(H,29,31)/t20-,25+/m1/s1.
What are the key properties of (2R)-2-[(1R)-3,3-difluorocyclopentyl]-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-2-hydroxy-2-phenylacetamide?
(2R)-2-[(1R)-3,3-difluorocyclopentyl]-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-2-hydroxy-2-phenylacetamide has a molecular weight of 446.51 g/mol, XLogP of 4.23, 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]-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 10551354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).