N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)-4-(3-methoxyphenoxy)cyclopentyl]acetamide

C19H28N2O5 — CID 155984652

IUPACN-[(1R,2S,3R,4R)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)-4-(3-methoxyphenoxy)cyclopentyl]acetamide
SMILESCOc1cccc(O[C@@H]2C[C@@H](NC(C)=O)[C@H](N3CCC(O)CC3)[C@H]2O)c1
InChIInChI=1S/C19H28N2O5/c1-12(22)20-16-11-17(26-15-5-3-4-14(10-15)25-2)19(24)18(16)21-8-6-13(23)7-9-21/h3-5,10,13,16-19,23-24H,6-9,11H2,1-2H3,(H,20,22)/t16-,17-,18+,19+/m1/s1
InChIKeyACKDKDAQAKMIDJ-YRXWBPOGSA-N
MW364.44 g/mol
LogP0.54
Rot. Bonds5

About N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)-4-(3-methoxyphenoxy)cyclopentyl]acetamide

N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)-4-(3-methoxyphenoxy)cyclopentyl]acetamide (PubChem CID 155984652) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)-4-(3-methoxyphenoxy)cyclopentyl]acetamide.

Molecular Properties

Compound NameN-[(1R,2S,3R,4R)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)-4-(3-methoxyphenoxy)cyclopentyl]acetamide
PubChem CID155984652
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC NameN-[(1R,2S,3R,4R)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)-4-(3-methoxyphenoxy)cyclopentyl]acetamide
SMILESCOc1cccc(O[C@@H]2C[C@@H](NC(C)=O)[C@H](N3CCC(O)CC3)[C@H]2O)c1
InChIInChI=1S/C19H28N2O5/c1-12(22)20-16-11-17(26-15-5-3-4-14(10-15)25-2)19(24)18(16)21-8-6-13(23)7-9-21/h3-5,10,13,16-19,23-24H,6-9,11H2,1-2H3,(H,20,22)/t16-,17-,18+,19+/m1/s1
InChIKeyACKDKDAQAKMIDJ-YRXWBPOGSA-N
XLogP0.54
TPSA91.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)-4-(3-methoxyphenoxy)cyclopentyl]acetamide with MolForge

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Related Compounds

[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)cyclopentyl]urea
CID 110157524
N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-(3-methoxyphenoxy)cyclopentyl]acetamide
CID 110157342
N-[(1R,2S,3R,4R)-3-hydroxy-4-(3-methoxyphenoxy)-2-piperidin-1-ylcyclopentyl]pyridine-3-carboxamide
CID 110157415
N-[(1R,2S,3R,4R)-3-hydroxy-4-phenoxy-2-piperidin-1-ylcyclopentyl]-3-methoxybenzamide
CID 110153321
N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(3-methoxyphenoxy)cyclopentyl]-2-methylpropanamide
CID 110157628
4-fluoro-N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)-4-phenoxycyclopentyl]benzamide
CID 110157992
N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-methoxypiperidin-1-yl)-4-phenoxycyclopentyl]benzamide
CID 110157371
3-amino-N-[(1R,2S,3R,4R)-2-(4-tert-butylpiperidin-1-yl)-4-(3-fluorophenoxy)-3-hydroxycyclopentyl]propanamide
CID 110158540
N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(3-methoxyphenoxy)cyclopentyl]-3-methylpyridine-2-carboxamide
CID 155901938
N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-pyrrolidin-1-ylcyclopentyl]-3-methylimidazole-4-carboxamide
CID 155901233
N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-methoxypiperidin-1-yl)-4-phenoxycyclopentyl]-2-methylpyridine-3-carboxamide
CID 110157740
N-[(1R,2S,3R,4R)-3-hydroxy-4-phenoxy-2-piperidin-1-ylcyclopentyl]oxane-4-carboxamide
CID 110157858

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)-4-(3-methoxyphenoxy)cyclopentyl]acetamide?
The IUPAC name of N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)-4-(3-methoxyphenoxy)cyclopentyl]acetamide (CID 155984652) is N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)-4-(3-methoxyphenoxy)cyclopentyl]acetamide.
What is the SMILES notation for N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)-4-(3-methoxyphenoxy)cyclopentyl]acetamide?
The canonical SMILES for N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)-4-(3-methoxyphenoxy)cyclopentyl]acetamide is COc1cccc(O[C@@H]2C[C@@H](NC(C)=O)[C@H](N3CCC(O)CC3)[C@H]2O)c1.
What is the InChIKey of N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)-4-(3-methoxyphenoxy)cyclopentyl]acetamide?
The InChIKey is ACKDKDAQAKMIDJ-YRXWBPOGSA-N. The full InChI is InChI=1S/C19H28N2O5/c1-12(22)20-16-11-17(26-15-5-3-4-14(10-15)25-2)19(24)18(16)21-8-6-13(23)7-9-21/h3-5,10,13,16-19,23-24H,6-9,11H2,1-2H3,(H,20,22)/t16-,17-,18+,19+/m1/s1.
What are the key properties of N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)-4-(3-methoxyphenoxy)cyclopentyl]acetamide?
N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)-4-(3-methoxyphenoxy)cyclopentyl]acetamide has a molecular weight of 364.44 g/mol, XLogP of 0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)-4-(3-methoxyphenoxy)cyclopentyl]acetamide is sourced from PubChem (CID 155984652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).