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

C26H32F2N2O3 — CID 11798126

IUPAC(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylacetamide
SMILESCOc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)c1
InChIInChI=1S/C26H32F2N2O3/c1-33-23-9-5-6-19(16-23)18-30-14-11-22(12-15-30)29-24(31)26(32,20-7-3-2-4-8-20)21-10-13-25(27,28)17-21/h2-9,16,21-22,32H,10-15,17-18H2,1H3,(H,29,31)/t21-,26+/m1/s1
InChIKeyWHFTUKDGFGFLCG-RLWLMLJZSA-N
MW458.55 g/mol
LogP4.10
Rot. Bonds7

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

(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylacetamide (PubChem CID 11798126) has the molecular formula C26H32F2N2O3 and a molecular weight of 458.55 g/mol. Its IUPAC name is (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylacetamide
PubChem CID11798126
Molecular FormulaC26H32F2N2O3
Molecular Weight458.55 g/mol
Exact Mass458.24
IUPAC Name(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylacetamide
SMILESCOc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)c1
InChIInChI=1S/C26H32F2N2O3/c1-33-23-9-5-6-19(16-23)18-30-14-11-22(12-15-30)29-24(31)26(32,20-7-3-2-4-8-20)21-10-13-25(27,28)17-21/h2-9,16,21-22,32H,10-15,17-18H2,1H3,(H,29,31)/t21-,26+/m1/s1
InChIKeyWHFTUKDGFGFLCG-RLWLMLJZSA-N
XLogP4.10
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.55
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,3-Difluoro-cyclopentyl)-2-hydroxy-N-[1-(3-methyl-benzyl)-piperidin-4-yl]-2-phenyl-acetamide
CID 10503358
2-(3,3-Difluoro-cyclopentyl)-N-[1-(3-fluoro-benzyl)-piperidin-4-yl]-2-hydroxy-2-phenyl-acetamide
CID 10551354
N-(1-Benzyl-piperidin-4-yl)-2-(3,3-difluoro-cyclopentyl)-2-hydroxy-2-phenyl-acetamide
CID 10812455
(3S,4R)-N-cyclopropyl-4-(3,4-difluorophenyl)-4-hydroxy-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide
CID 42641453
Rac-(3s,4r)-n-cyclopropyl-4-(3,4-difluorophenyl)-4-hydroxy-n-[3-(2-methoxyethoxy)-5-(3-methoxypropyl)benzyl]piperidine-3-carboxamide
CID 57392011
N-[1-(3-Aminomethyl-benzyl)-piperidin-4-yl]-2-(3,3-difluoro-cyclopentyl)-2-hydroxy-2-phenyl-acetamide
CID 10623721
2-(3,3-Difluoro-cyclopentyl)-2-hydroxy-N-[1-(3-hydroxy-benzyl)-piperidin-4-yl]-2-phenyl-acetamide
CID 10646948
2-Cyclopentyl-2-hydroxy-N-[1-(3-methoxy-benzyl)-piperidin-4-yl]-2-phenyl-acetamide
CID 11796509
N-{[1-(4-fluoro-3-methoxybenzyl)piperidin-3-yl]methyl}-2-(4-methoxyphenyl)acetamide
CID 23723676
2-(3,5-Bis-trifluoromethyl-phenyl)-N-[2-(4-hydroxy-4-phenyl-piperidin-1-yl)-2-(2-methoxy-phenyl)-ethyl]-acetamide
CID 44358611
2-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(3-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]acetamide
CID 44358707
trans-N-benzyl-2-(1-hydroxy-3-(3-(trifluoromethoxy)phenyl)propyl)cyclopentanecarboxamide
CID 44408984

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylacetamide?
The IUPAC name of (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylacetamide (CID 11798126) is (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylacetamide?
The canonical SMILES for (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylacetamide is COc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)c1.
What is the InChIKey of (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylacetamide?
The InChIKey is WHFTUKDGFGFLCG-RLWLMLJZSA-N. The full InChI is InChI=1S/C26H32F2N2O3/c1-33-23-9-5-6-19(16-23)18-30-14-11-22(12-15-30)29-24(31)26(32,20-7-3-2-4-8-20)21-10-13-25(27,28)17-21/h2-9,16,21-22,32H,10-15,17-18H2,1H3,(H,29,31)/t21-,26+/m1/s1.
What are the key properties of (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylacetamide?
(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylacetamide has a molecular weight of 458.55 g/mol, XLogP of 4.10, 7 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-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylacetamide is sourced from PubChem (CID 11798126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).