(2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-piperidin-1-ylethyl)butanamide

C18H27FN2O3 — CID 52947005

IUPAC(2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-piperidin-1-ylethyl)butanamide
SMILESCO[C@H](C[C@H](CCN1CCCCC1)C(=O)NO)c1ccc(F)cc1
InChIInChI=1S/C18H27FN2O3/c1-24-17(14-5-7-16(19)8-6-14)13-15(18(22)20-23)9-12-21-10-3-2-4-11-21/h5-8,15,17,23H,2-4,9-13H2,1H3,(H,20,22)/t15-,17+/m0/s1
InChIKeyXBXNGULBEJMGOC-DOTOQJQBSA-N
MW338.42 g/mol
LogP2.90
Rot. Bonds8

About (2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-piperidin-1-ylethyl)butanamide

(2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-piperidin-1-ylethyl)butanamide (PubChem CID 52947005) has the molecular formula C18H27FN2O3 and a molecular weight of 338.42 g/mol. Its IUPAC name is (2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-piperidin-1-ylethyl)butanamide.

Molecular Properties

Compound Name(2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-piperidin-1-ylethyl)butanamide
PubChem CID52947005
Molecular FormulaC18H27FN2O3
Molecular Weight338.42 g/mol
Exact Mass338.20
IUPAC Name(2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-piperidin-1-ylethyl)butanamide
SMILESCO[C@H](C[C@H](CCN1CCCCC1)C(=O)NO)c1ccc(F)cc1
InChIInChI=1S/C18H27FN2O3/c1-24-17(14-5-7-16(19)8-6-14)13-15(18(22)20-23)9-12-21-10-3-2-4-11-21/h5-8,15,17,23H,2-4,9-13H2,1H3,(H,20,22)/t15-,17+/m0/s1
InChIKeyXBXNGULBEJMGOC-DOTOQJQBSA-N
XLogP2.90
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2s)-6-[(4-Fluorobenzyl)amino]-2-[(2r)-2-(4-Fluorophenyl)-2-Methoxyethyl]-N-Hydroxyhexanamide
CID 54582019
(2s,4r)-2-(2-{[3-(4-Fluoro-3-Methylphenyl)propyl](Methyl)amino}ethyl)-4-(4-Fluorophenyl)-N-Hydroxy-4-Methoxybutanamide
CID 25134297
(S)-2-((R)-2-(4-fluoro-3-methylphenyl)-2-methoxyethyl)-6-(4-fluorobenzylamino)-N-hydroxyhexanamide
CID 54582020
(2S)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-6-[1-(4-fluorophenyl)propylamino]-N-hydroxyhexanamide
CID 57345502
[(5S,7R)-7-(4-fluorophenyl)-5-(hydroxycarbamoyl)-7-methoxyheptyl]-[(4-fluorophenyl)methyl]azanium
CID 72200759
(S)-6-(4-fluorophenethylamino)-2-((R)-2-(4-fluorophenyl)-2-methoxyethyl)-N-hydroxyhexanamide
CID 25164605
(2s,4r)-4-(4-Fluorophenyl)-n-hydroxy-4-methoxy-2-(2-(pyrrolidin-1-yl)ethyl)butanamide
CID 52940940
(2s,4r)-4-(4-Fluorophenyl)-n-hydroxy-4-methoxy-2-(2-morpholinoethyl)butanamide
CID 52944453
(2s,4r)-4-(4-Fluorophenyl)-n-hydroxy-2-(2-(3-(hydroxymethyl)piperidin-1-yl)ethyl)-4-methoxybutanamide
CID 52945702
(2s,4r)-4-(4-Fluorophenyl)-n-hydroxy-4-methoxy-2-(2-(4-phenethylpiperazin-1-yl)ethyl)butanamide
CID 52945720
(2s,4r)-2-(2-(Dimethylamino)ethyl)-4-(4-fluorophenyl)-n-hydroxy-4-methoxybutanamide
CID 52945792
(2s,4r)-2-(2-(4-Benzylpiperazin-1-yl)ethyl)-4-(4-fluorophenyl)-n-hydroxy-4-methoxybutanamide
CID 52946540

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-piperidin-1-ylethyl)butanamide?
The IUPAC name of (2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-piperidin-1-ylethyl)butanamide (CID 52947005) is (2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-piperidin-1-ylethyl)butanamide.
What is the SMILES notation for (2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-piperidin-1-ylethyl)butanamide?
The canonical SMILES for (2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-piperidin-1-ylethyl)butanamide is CO[C@H](C[C@H](CCN1CCCCC1)C(=O)NO)c1ccc(F)cc1.
What is the InChIKey of (2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-piperidin-1-ylethyl)butanamide?
The InChIKey is XBXNGULBEJMGOC-DOTOQJQBSA-N. The full InChI is InChI=1S/C18H27FN2O3/c1-24-17(14-5-7-16(19)8-6-14)13-15(18(22)20-23)9-12-21-10-3-2-4-11-21/h5-8,15,17,23H,2-4,9-13H2,1H3,(H,20,22)/t15-,17+/m0/s1.
What are the key properties of (2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-piperidin-1-ylethyl)butanamide?
(2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-piperidin-1-ylethyl)butanamide has a molecular weight of 338.42 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-piperidin-1-ylethyl)butanamide is sourced from PubChem (CID 52947005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).