[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)cyclopentyl]urea

C17H24FN3O4 — CID 110157524

IUPAC[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)cyclopentyl]urea
SMILESNC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCC(O)CC1
InChIInChI=1S/C17H24FN3O4/c18-10-2-1-3-12(8-10)25-14-9-13(20-17(19)24)15(16(14)23)21-6-4-11(22)5-7-21/h1-3,8,11,13-16,22-23H,4-7,9H2,(H3,19,20,24)/t13-,14-,15+,16+/m1/s1
InChIKeyRLDKKNSWYMBHJL-WCVJEAGWSA-N
MW353.39 g/mol
LogP0.20
Rot. Bonds4

About [(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)cyclopentyl]urea

[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)cyclopentyl]urea (PubChem CID 110157524) has the molecular formula C17H24FN3O4 and a molecular weight of 353.39 g/mol. Its IUPAC name is [(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)cyclopentyl]urea.

Molecular Properties

Compound Name[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)cyclopentyl]urea
PubChem CID110157524
Molecular FormulaC17H24FN3O4
Molecular Weight353.39 g/mol
Exact Mass353.18
IUPAC Name[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)cyclopentyl]urea
SMILESNC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCC(O)CC1
InChIInChI=1S/C17H24FN3O4/c18-10-2-1-3-12(8-10)25-14-9-13(20-17(19)24)15(16(14)23)21-6-4-11(22)5-7-21/h1-3,8,11,13-16,22-23H,4-7,9H2,(H3,19,20,24)/t13-,14-,15+,16+/m1/s1
InChIKeyRLDKKNSWYMBHJL-WCVJEAGWSA-N
XLogP0.20
TPSA108.05 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 50.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze [(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)cyclopentyl]urea with MolForge

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Launch Full Analysis

Related Compounds

N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)-4-(3-methoxyphenoxy)cyclopentyl]acetamide
CID 155984652
4-fluoro-N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)-4-phenoxycyclopentyl]benzamide
CID 110157992
3-amino-N-[(1R,2S,3R,4R)-2-(4-tert-butylpiperidin-1-yl)-4-(3-fluorophenoxy)-3-hydroxycyclopentyl]propanamide
CID 110158540
2-amino-N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-(4-phenylpiperazin-1-yl)cyclopentyl]acetamide
CID 110158548
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)-4-(3-fluorophenoxy)-3-hydroxy-2-(4-phenylpiperazin-1-yl)cyclopentyl]-1,3-thiazole-5-carboxamide
CID 129453571
N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-methoxypiperidin-1-yl)-4-phenoxycyclopentyl]benzamide
CID 110157371
N-[(1R,2S,3R,4R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(3-fluorophenoxy)-3-hydroxycyclopentyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 110155539
N-[(1R,2S,3R,4R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(3-fluorophenoxy)-3-hydroxycyclopentyl]-3-pyridin-3-ylpropanamide
CID 110076559
N-[(1R,2S,3R,4R)-3-hydroxy-4-phenoxy-2-piperidin-1-ylcyclopentyl]-3-methoxybenzamide
CID 110153321
4-fluoro-N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-2,3-dihydroxycyclohexyl]benzamide
CID 110157998
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 [(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)cyclopentyl]urea?
The IUPAC name of [(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)cyclopentyl]urea (CID 110157524) is [(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)cyclopentyl]urea.
What is the SMILES notation for [(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)cyclopentyl]urea?
The canonical SMILES for [(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)cyclopentyl]urea is NC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCC(O)CC1.
What is the InChIKey of [(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)cyclopentyl]urea?
The InChIKey is RLDKKNSWYMBHJL-WCVJEAGWSA-N. The full InChI is InChI=1S/C17H24FN3O4/c18-10-2-1-3-12(8-10)25-14-9-13(20-17(19)24)15(16(14)23)21-6-4-11(22)5-7-21/h1-3,8,11,13-16,22-23H,4-7,9H2,(H3,19,20,24)/t13-,14-,15+,16+/m1/s1.
What are the key properties of [(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)cyclopentyl]urea?
[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)cyclopentyl]urea has a molecular weight of 353.39 g/mol, XLogP of 0.20, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)cyclopentyl]urea is sourced from PubChem (CID 110157524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).