(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-phenylacetamide

C25H31F2N3O2 — CID 10718110

IUPAC(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-phenylacetamide
SMILESCc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)n1
InChIInChI=1S/C25H31F2N3O2/c1-18-6-5-9-22(28-18)17-30-14-11-21(12-15-30)29-23(31)25(32,19-7-3-2-4-8-19)20-10-13-24(26,27)16-20/h2-9,20-21,32H,10-17H2,1H3,(H,29,31)/t20-,25+/m1/s1
InChIKeyHRBJAGYSTCJZLI-NLFFAJNJSA-N
MW443.54 g/mol
LogP3.79
Rot. Bonds6

About (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-phenylacetamide

(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-phenylacetamide (PubChem CID 10718110) has the molecular formula C25H31F2N3O2 and a molecular weight of 443.54 g/mol. Its IUPAC name is (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-phenylacetamide
PubChem CID10718110
Molecular FormulaC25H31F2N3O2
Molecular Weight443.54 g/mol
Exact Mass443.24
IUPAC Name(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-phenylacetamide
SMILESCc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)n1
InChIInChI=1S/C25H31F2N3O2/c1-18-6-5-9-22(28-18)17-30-14-11-21(12-15-30)29-23(31)25(32,19-7-3-2-4-8-19)20-10-13-24(26,27)16-20/h2-9,20-21,32H,10-17H2,1H3,(H,29,31)/t20-,25+/m1/s1
InChIKeyHRBJAGYSTCJZLI-NLFFAJNJSA-N
XLogP3.79
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.54
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(6-methyl-2-pyridinyl)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-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-phenylacetamide?
The IUPAC name of (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-phenylacetamide (CID 10718110) is (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-phenylacetamide?
The canonical SMILES for (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-phenylacetamide is Cc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)n1.
What is the InChIKey of (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-phenylacetamide?
The InChIKey is HRBJAGYSTCJZLI-NLFFAJNJSA-N. The full InChI is InChI=1S/C25H31F2N3O2/c1-18-6-5-9-22(28-18)17-30-14-11-21(12-15-30)29-23(31)25(32,19-7-3-2-4-8-19)20-10-13-24(26,27)16-20/h2-9,20-21,32H,10-17H2,1H3,(H,29,31)/t20-,25+/m1/s1.
What are the key properties of (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-phenylacetamide?
(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-phenylacetamide has a molecular weight of 443.54 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 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-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-phenylacetamide is sourced from PubChem (CID 10718110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).