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

C26H38F2N2O2 — CID 10671167

IUPAC(2R)-N-[1-(cycloheptylmethyl)piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide
SMILESO=C(NC1CCN(CC2CCCCCC2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1
InChIInChI=1S/C26H38F2N2O2/c27-25(28)15-12-22(18-25)26(32,21-10-6-3-7-11-21)24(31)29-23-13-16-30(17-14-23)19-20-8-4-1-2-5-9-20/h3,6-7,10-11,20,22-23,32H,1-2,4-5,8-9,12-19H2,(H,29,31)/t22-,26+/m1/s1
InChIKeyANXXZECPSLPAFT-GJZUVCINSA-N
MW448.60 g/mol
LogP4.86
Rot. Bonds6

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

(2R)-N-[1-(cycloheptylmethyl)piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide (PubChem CID 10671167) has the molecular formula C26H38F2N2O2 and a molecular weight of 448.60 g/mol. Its IUPAC name is (2R)-N-[1-(cycloheptylmethyl)piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-[1-(cycloheptylmethyl)piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide
PubChem CID10671167
Molecular FormulaC26H38F2N2O2
Molecular Weight448.60 g/mol
Exact Mass448.29
IUPAC Name(2R)-N-[1-(cycloheptylmethyl)piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide
SMILESO=C(NC1CCN(CC2CCCCCC2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1
InChIInChI=1S/C26H38F2N2O2/c27-25(28)15-12-22(18-25)26(32,21-10-6-3-7-11-21)24(31)29-23-13-16-30(17-14-23)19-20-8-4-1-2-5-9-20/h3,6-7,10-11,20,22-23,32H,1-2,4-5,8-9,12-19H2,(H,29,31)/t22-,26+/m1/s1
InChIKeyANXXZECPSLPAFT-GJZUVCINSA-N
XLogP4.86
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.60
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-N-[1-(cycloheptylmethyl)piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-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)-N-[1-(cycloheptylmethyl)piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide?
The IUPAC name of (2R)-N-[1-(cycloheptylmethyl)piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide (CID 10671167) is (2R)-N-[1-(cycloheptylmethyl)piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for (2R)-N-[1-(cycloheptylmethyl)piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide?
The canonical SMILES for (2R)-N-[1-(cycloheptylmethyl)piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide is O=C(NC1CCN(CC2CCCCCC2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1.
What is the InChIKey of (2R)-N-[1-(cycloheptylmethyl)piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide?
The InChIKey is ANXXZECPSLPAFT-GJZUVCINSA-N. The full InChI is InChI=1S/C26H38F2N2O2/c27-25(28)15-12-22(18-25)26(32,21-10-6-3-7-11-21)24(31)29-23-13-16-30(17-14-23)19-20-8-4-1-2-5-9-20/h3,6-7,10-11,20,22-23,32H,1-2,4-5,8-9,12-19H2,(H,29,31)/t22-,26+/m1/s1.
What are the key properties of (2R)-N-[1-(cycloheptylmethyl)piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide?
(2R)-N-[1-(cycloheptylmethyl)piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide has a molecular weight of 448.60 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-(cycloheptylmethyl)piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 10671167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).