2-cyclopentyl-2-hydroxy-N-[1-[[4-(hydroxymethyl)-2-pyridinyl]methyl]piperidin-4-yl]-2-phenylacetamide

C25H33N3O3 — CID 23289921

IUPAC2-cyclopentyl-2-hydroxy-N-[1-[[4-(hydroxymethyl)-2-pyridinyl]methyl]piperidin-4-yl]-2-phenylacetamide
SMILESO=C(NC1CCN(Cc2cc(CO)ccn2)CC1)C(O)(c1ccccc1)C1CCCC1
InChIInChI=1S/C25H33N3O3/c29-18-19-10-13-26-23(16-19)17-28-14-11-22(12-15-28)27-24(30)25(31,21-8-4-5-9-21)20-6-2-1-3-7-20/h1-3,6-7,10,13,16,21-22,29,31H,4-5,8-9,11-12,14-15,17-18H2,(H,27,30)
InChIKeyITKDYTKXHQBSJY-UHFFFAOYSA-N
MW423.56 g/mol
LogP2.73
Rot. Bonds7

About 2-cyclopentyl-2-hydroxy-N-[1-[[4-(hydroxymethyl)-2-pyridinyl]methyl]piperidin-4-yl]-2-phenylacetamide

2-cyclopentyl-2-hydroxy-N-[1-[[4-(hydroxymethyl)-2-pyridinyl]methyl]piperidin-4-yl]-2-phenylacetamide (PubChem CID 23289921) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is 2-cyclopentyl-2-hydroxy-N-[1-[[4-(hydroxymethyl)-2-pyridinyl]methyl]piperidin-4-yl]-2-phenylacetamide.

Molecular Properties

Compound Name2-cyclopentyl-2-hydroxy-N-[1-[[4-(hydroxymethyl)-2-pyridinyl]methyl]piperidin-4-yl]-2-phenylacetamide
PubChem CID23289921
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC Name2-cyclopentyl-2-hydroxy-N-[1-[[4-(hydroxymethyl)-2-pyridinyl]methyl]piperidin-4-yl]-2-phenylacetamide
SMILESO=C(NC1CCN(Cc2cc(CO)ccn2)CC1)C(O)(c1ccccc1)C1CCCC1
InChIInChI=1S/C25H33N3O3/c29-18-19-10-13-26-23(16-19)17-28-14-11-22(12-15-28)27-24(30)25(31,21-8-4-5-9-21)20-6-2-1-3-7-20/h1-3,6-7,10,13,16,21-22,29,31H,4-5,8-9,11-12,14-15,17-18H2,(H,27,30)
InChIKeyITKDYTKXHQBSJY-UHFFFAOYSA-N
XLogP2.73
TPSA85.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopentyl-2-hydroxy-2-phenyl-N-[1-(quinolin-2-ylmethyl)piperidin-4-yl]acetamide
CID 23289915
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
tert-butyl 4-[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)amino]piperidine-1-carboxylate
CID 23289906
2-cyclopentyl-2-hydroxy-N-[1-(3-methylpent-4-ynyl)piperidin-4-yl]-2-phenylacetamide
CID 18922142
(2R)-N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclohexyl)-2-hydroxy-2-phenylacetamide
CID 54093625
(2R)-N-(1-benzylpiperidin-4-yl)-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide
CID 102016686
2-cyclopentyl-2-hydroxy-N-[1-[2-(5-methylcyclopenten-1-yl)ethyl]piperidin-4-yl]-2-phenylacetamide
CID 18922048
(E)-but-2-enedioic acid;2-cyclopentyl-2-hydroxy-N-[1-(4-methylpent-3-enyl)piperidin-4-yl]-2-phenylacetamide
CID 18922159
N-[1-[(3,5-diaminophenyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide
CID 174397651
N-[1-(cycloheptylmethyl)piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-pyrimidin-2-ylacetamide
CID 18922107
N-[(5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide
CID 68905775

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-hydroxy-N-[1-[[4-(hydroxymethyl)-2-pyridinyl]methyl]piperidin-4-yl]-2-phenylacetamide?
The IUPAC name of 2-cyclopentyl-2-hydroxy-N-[1-[[4-(hydroxymethyl)-2-pyridinyl]methyl]piperidin-4-yl]-2-phenylacetamide (CID 23289921) is 2-cyclopentyl-2-hydroxy-N-[1-[[4-(hydroxymethyl)-2-pyridinyl]methyl]piperidin-4-yl]-2-phenylacetamide.
What is the SMILES notation for 2-cyclopentyl-2-hydroxy-N-[1-[[4-(hydroxymethyl)-2-pyridinyl]methyl]piperidin-4-yl]-2-phenylacetamide?
The canonical SMILES for 2-cyclopentyl-2-hydroxy-N-[1-[[4-(hydroxymethyl)-2-pyridinyl]methyl]piperidin-4-yl]-2-phenylacetamide is O=C(NC1CCN(Cc2cc(CO)ccn2)CC1)C(O)(c1ccccc1)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-hydroxy-N-[1-[[4-(hydroxymethyl)-2-pyridinyl]methyl]piperidin-4-yl]-2-phenylacetamide?
The InChIKey is ITKDYTKXHQBSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c29-18-19-10-13-26-23(16-19)17-28-14-11-22(12-15-28)27-24(30)25(31,21-8-4-5-9-21)20-6-2-1-3-7-20/h1-3,6-7,10,13,16,21-22,29,31H,4-5,8-9,11-12,14-15,17-18H2,(H,27,30).
What are the key properties of 2-cyclopentyl-2-hydroxy-N-[1-[[4-(hydroxymethyl)-2-pyridinyl]methyl]piperidin-4-yl]-2-phenylacetamide?
2-cyclopentyl-2-hydroxy-N-[1-[[4-(hydroxymethyl)-2-pyridinyl]methyl]piperidin-4-yl]-2-phenylacetamide has a molecular weight of 423.56 g/mol, XLogP of 2.73, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-hydroxy-N-[1-[[4-(hydroxymethyl)-2-pyridinyl]methyl]piperidin-4-yl]-2-phenylacetamide is sourced from PubChem (CID 23289921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).