(2S,4R)-4-(4-fluorophenyl)-2-[2-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl]-N-hydroxy-4-methoxybutanamide

C25H32F2N2O3 — CID 52944538

IUPAC(2S,4R)-4-(4-fluorophenyl)-2-[2-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl]-N-hydroxy-4-methoxybutanamide
SMILESCO[C@H](CC(CCN1CCCC(Cc2ccc(F)cc2)C1)C(=O)NO)c1ccc(F)cc1
InChIInChI=1S/C25H32F2N2O3/c1-32-24(20-6-10-23(27)11-7-20)16-21(25(30)28-31)12-14-29-13-2-3-19(17-29)15-18-4-8-22(26)9-5-18/h4-11,19,21,24,31H,2-3,12-17H2,1H3,(H,28,30)/t19?,21?,24-/m1/s1
InChIKeyONYBLJQFZWDCRC-NFDBJIOVSA-N
MW446.54 g/mol
LogP4.51
Rot. Bonds10

About (2S,4R)-4-(4-fluorophenyl)-2-[2-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl]-N-hydroxy-4-methoxybutanamide

(2S,4R)-4-(4-fluorophenyl)-2-[2-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl]-N-hydroxy-4-methoxybutanamide (PubChem CID 52944538) has the molecular formula C25H32F2N2O3 and a molecular weight of 446.54 g/mol. Its IUPAC name is (2S,4R)-4-(4-fluorophenyl)-2-[2-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl]-N-hydroxy-4-methoxybutanamide.

Molecular Properties

Compound Name(2S,4R)-4-(4-fluorophenyl)-2-[2-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl]-N-hydroxy-4-methoxybutanamide
PubChem CID52944538
Molecular FormulaC25H32F2N2O3
Molecular Weight446.54 g/mol
Exact Mass446.24
IUPAC Name(2S,4R)-4-(4-fluorophenyl)-2-[2-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl]-N-hydroxy-4-methoxybutanamide
SMILESCO[C@H](CC(CCN1CCCC(Cc2ccc(F)cc2)C1)C(=O)NO)c1ccc(F)cc1
InChIInChI=1S/C25H32F2N2O3/c1-32-24(20-6-10-23(27)11-7-20)16-21(25(30)28-31)12-14-29-13-2-3-19(17-29)15-18-4-8-22(26)9-5-18/h4-11,19,21,24,31H,2-3,12-17H2,1H3,(H,28,30)/t19?,21?,24-/m1/s1
InChIKeyONYBLJQFZWDCRC-NFDBJIOVSA-N
XLogP4.51
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.54
LogP ≤ 54.51
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'}

Analyze (2S,4R)-4-(4-fluorophenyl)-2-[2-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl]-N-hydroxy-4-methoxybutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide
CID 52946921
methyl 2-[2-[4-[(4-fluoro-3-methylphenyl)methyl]piperazin-1-yl]ethyl]-4-(4-fluorophenyl)-4-methoxybutanoate
CID 66754614
(2S)-2-[2-[butyl(methyl)amino]ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide
CID 87596608
1-[4-[[1-(3-fluorobutyl)piperidin-3-yl]methyl]phenyl]ethanol
CID 153405646
1-(2,5-dimethoxyphenyl)-3-[3-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea
CID 22393322
1-[4-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]butyl]-3-(3-methoxyphenyl)urea
CID 22393472
(3S)-3-[(4-fluorophenyl)methyl]-1-[(1-methylpiperidin-4-yl)methyl]piperidine
CID 141046159
1-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]piperidine
CID 142103479
3-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]propanoic acid
CID 119136182
1-(4-fluorophenyl)-3-(3-methoxypiperidin-1-yl)propan-1-ol
CID 102967568
1-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-3-methoxybutan-1-one
CID 136526783
1-(3-acetylphenyl)-3-[3-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea
CID 22393401

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-(4-fluorophenyl)-2-[2-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl]-N-hydroxy-4-methoxybutanamide?
The IUPAC name of (2S,4R)-4-(4-fluorophenyl)-2-[2-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl]-N-hydroxy-4-methoxybutanamide (CID 52944538) is (2S,4R)-4-(4-fluorophenyl)-2-[2-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl]-N-hydroxy-4-methoxybutanamide.
What is the SMILES notation for (2S,4R)-4-(4-fluorophenyl)-2-[2-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl]-N-hydroxy-4-methoxybutanamide?
The canonical SMILES for (2S,4R)-4-(4-fluorophenyl)-2-[2-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl]-N-hydroxy-4-methoxybutanamide is CO[C@H](CC(CCN1CCCC(Cc2ccc(F)cc2)C1)C(=O)NO)c1ccc(F)cc1.
What is the InChIKey of (2S,4R)-4-(4-fluorophenyl)-2-[2-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl]-N-hydroxy-4-methoxybutanamide?
The InChIKey is ONYBLJQFZWDCRC-NFDBJIOVSA-N. The full InChI is InChI=1S/C25H32F2N2O3/c1-32-24(20-6-10-23(27)11-7-20)16-21(25(30)28-31)12-14-29-13-2-3-19(17-29)15-18-4-8-22(26)9-5-18/h4-11,19,21,24,31H,2-3,12-17H2,1H3,(H,28,30)/t19?,21?,24-/m1/s1.
What are the key properties of (2S,4R)-4-(4-fluorophenyl)-2-[2-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl]-N-hydroxy-4-methoxybutanamide?
(2S,4R)-4-(4-fluorophenyl)-2-[2-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl]-N-hydroxy-4-methoxybutanamide has a molecular weight of 446.54 g/mol, XLogP of 4.51, 10 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)-2-[2-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl]-N-hydroxy-4-methoxybutanamide is sourced from PubChem (CID 52944538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).