N'-[1-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanimidamide

C26H32FN3O2 — CID 67407931

IUPACN'-[1-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanimidamide
SMILESN/C(Cc1ccccc1F)=N\C1CCN(C(=O)[C@](O)(c2ccccc2)C2CCCC2)CC1
InChIInChI=1S/C26H32FN3O2/c27-23-13-7-4-8-19(23)18-24(28)29-22-14-16-30(17-15-22)25(31)26(32,21-11-5-6-12-21)20-9-2-1-3-10-20/h1-4,7-10,13,21-22,32H,5-6,11-12,14-18H2,(H2,28,29)/t26-/m0/s1
InChIKeyOWASGYYEEJVNRX-SANMLTNESA-N
MW437.56 g/mol
LogP3.79
Rot. Bonds6

About N'-[1-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanimidamide

N'-[1-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanimidamide (PubChem CID 67407931) has the molecular formula C26H32FN3O2 and a molecular weight of 437.56 g/mol. Its IUPAC name is N'-[1-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanimidamide.

Molecular Properties

Compound NameN'-[1-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanimidamide
PubChem CID67407931
Molecular FormulaC26H32FN3O2
Molecular Weight437.56 g/mol
Exact Mass437.25
IUPAC NameN'-[1-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanimidamide
SMILESN/C(Cc1ccccc1F)=N\C1CCN(C(=O)[C@](O)(c2ccccc2)C2CCCC2)CC1
InChIInChI=1S/C26H32FN3O2/c27-23-13-7-4-8-19(23)18-24(28)29-22-14-16-30(17-15-22)25(31)26(32,21-11-5-6-12-21)20-9-2-1-3-10-20/h1-4,7-10,13,21-22,32H,5-6,11-12,14-18H2,(H2,28,29)/t26-/m0/s1
InChIKeyOWASGYYEEJVNRX-SANMLTNESA-N
XLogP3.79
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.56
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[1-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanimidamide 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 N'-[1-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanimidamide?
The IUPAC name of N'-[1-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanimidamide (CID 67407931) is N'-[1-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanimidamide.
What is the SMILES notation for N'-[1-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanimidamide?
The canonical SMILES for N'-[1-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanimidamide is N/C(Cc1ccccc1F)=N\C1CCN(C(=O)[C@](O)(c2ccccc2)C2CCCC2)CC1.
What is the InChIKey of N'-[1-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanimidamide?
The InChIKey is OWASGYYEEJVNRX-SANMLTNESA-N. The full InChI is InChI=1S/C26H32FN3O2/c27-23-13-7-4-8-19(23)18-24(28)29-22-14-16-30(17-15-22)25(31)26(32,21-11-5-6-12-21)20-9-2-1-3-10-20/h1-4,7-10,13,21-22,32H,5-6,11-12,14-18H2,(H2,28,29)/t26-/m0/s1.
What are the key properties of N'-[1-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanimidamide?
N'-[1-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanimidamide has a molecular weight of 437.56 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanimidamide is sourced from PubChem (CID 67407931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).