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

C25H29ClF2N2O2 — CID 15886932

IUPAC(2R)-N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide
SMILESO=C(NC1CCN(Cc2cccc(Cl)c2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1
InChIInChI=1S/C25H29ClF2N2O2/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
InChIKeyGFBVFXOMSXGGBG-NLFFAJNJSA-N
MW462.97 g/mol
LogP4.74
Rot. Bonds6

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

(2R)-N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide (PubChem CID 15886932) has the molecular formula C25H29ClF2N2O2 and a molecular weight of 462.97 g/mol. Its IUPAC name is (2R)-N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide
PubChem CID15886932
Molecular FormulaC25H29ClF2N2O2
Molecular Weight462.97 g/mol
Exact Mass462.19
IUPAC Name(2R)-N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide
SMILESO=C(NC1CCN(Cc2cccc(Cl)c2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1
InChIInChI=1S/C25H29ClF2N2O2/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
InChIKeyGFBVFXOMSXGGBG-NLFFAJNJSA-N
XLogP4.74
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.97
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide?
The IUPAC name of (2R)-N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide (CID 15886932) is (2R)-N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for (2R)-N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide?
The canonical SMILES for (2R)-N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide is O=C(NC1CCN(Cc2cccc(Cl)c2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1.
What is the InChIKey of (2R)-N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide?
The InChIKey is GFBVFXOMSXGGBG-NLFFAJNJSA-N. The full InChI is InChI=1S/C25H29ClF2N2O2/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)-N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide?
(2R)-N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide has a molecular weight of 462.97 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 15886932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).