(2R)-N-(1-benzylpiperidin-4-yl)-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide

C25H30F2N2O2 — CID 102016686

IUPAC(2R)-N-(1-benzylpiperidin-4-yl)-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)[C@](O)(c1ccccc1)C1CCC(F)(F)C1
InChIInChI=1S/C25H30F2N2O2/c26-24(27)14-11-21(17-24)25(31,20-9-5-2-6-10-20)23(30)28-22-12-15-29(16-13-22)18-19-7-3-1-4-8-19/h1-10,21-22,31H,11-18H2,(H,28,30)/t21?,25-/m0/s1
InChIKeyKTCCCXMNJFFEIS-QBGQUKIHSA-N
MW428.52 g/mol
LogP4.09
Rot. Bonds6

About (2R)-N-(1-benzylpiperidin-4-yl)-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide

(2R)-N-(1-benzylpiperidin-4-yl)-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide (PubChem CID 102016686) has the molecular formula C25H30F2N2O2 and a molecular weight of 428.52 g/mol. Its IUPAC name is (2R)-N-(1-benzylpiperidin-4-yl)-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-(1-benzylpiperidin-4-yl)-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide
PubChem CID102016686
Molecular FormulaC25H30F2N2O2
Molecular Weight428.52 g/mol
Exact Mass428.23
IUPAC Name(2R)-N-(1-benzylpiperidin-4-yl)-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)[C@](O)(c1ccccc1)C1CCC(F)(F)C1
InChIInChI=1S/C25H30F2N2O2/c26-24(27)14-11-21(17-24)25(31,20-9-5-2-6-10-20)23(30)28-22-12-15-29(16-13-22)18-19-7-3-1-4-8-19/h1-10,21-22,31H,11-18H2,(H,28,30)/t21?,25-/m0/s1
InChIKeyKTCCCXMNJFFEIS-QBGQUKIHSA-N
XLogP4.09
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.52
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-2-phenylacetamide
CID 10646948
N-[1-[(3,5-diaminophenyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide
CID 174397651
(2R)-N-[1-[(4-amino-3-methoxyphenyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide
CID 54111593
(2R)-N-[1-[(6-amino-4-chloro-2-pyridinyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide
CID 54314105
(2R)-N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclohexyl)-2-hydroxy-2-phenylacetamide
CID 54093625
(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetic acid;hydrobromide
CID 69081566
N-(1-benzylpiperidin-4-yl)-2-hydroxy-3-methyl-2-[3-(trifluoromethyl)phenyl]butanamide
CID 68869568
(2R)-N-[1-[(6-amino-2-pyridinyl)methyl]-1-methylpiperidin-1-ium-4-yl]-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide
CID 10326009
2-cyclopentyl-N-[1-(cyclopentylmethyl)piperidin-4-yl]-2-hydroxy-2-phenylacetamide
CID 10810094
N-[1-(cyclopenten-1-ylmethyl)piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide
CID 18922005
(2R)-N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide
CID 10089233
N-[1-[(4-amino-3-fluorophenyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide;N-[1-[(3-amino-5-methoxyphenyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide;N-[1-(6-amino-4-methyl-2-pyridinyl)piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide;2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylacetamide;(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-2-phenylacetamide;2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenylacetamide
CID 173297610

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-benzylpiperidin-4-yl)-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide?
The IUPAC name of (2R)-N-(1-benzylpiperidin-4-yl)-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide (CID 102016686) is (2R)-N-(1-benzylpiperidin-4-yl)-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for (2R)-N-(1-benzylpiperidin-4-yl)-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide?
The canonical SMILES for (2R)-N-(1-benzylpiperidin-4-yl)-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide is O=C(NC1CCN(Cc2ccccc2)CC1)[C@](O)(c1ccccc1)C1CCC(F)(F)C1.
What is the InChIKey of (2R)-N-(1-benzylpiperidin-4-yl)-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide?
The InChIKey is KTCCCXMNJFFEIS-QBGQUKIHSA-N. The full InChI is InChI=1S/C25H30F2N2O2/c26-24(27)14-11-21(17-24)25(31,20-9-5-2-6-10-20)23(30)28-22-12-15-29(16-13-22)18-19-7-3-1-4-8-19/h1-10,21-22,31H,11-18H2,(H,28,30)/t21?,25-/m0/s1.
What are the key properties of (2R)-N-(1-benzylpiperidin-4-yl)-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide?
(2R)-N-(1-benzylpiperidin-4-yl)-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide has a molecular weight of 428.52 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-benzylpiperidin-4-yl)-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 102016686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).