(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N,2-dihydroxy-4-oxobutanamide

C14H18FN3O4 — CID 87818028

IUPAC(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N,2-dihydroxy-4-oxobutanamide
SMILESO=CC[C@@](O)(C(=O)NO)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C14H18FN3O4/c15-11-1-3-12(4-2-11)17-6-8-18(9-7-17)14(21,5-10-19)13(20)16-22/h1-4,10,21-22H,5-9H2,(H,16,20)/t14-/m1/s1
InChIKeySRSIJNLYGAVAKI-CQSZACIVSA-N
MW311.31 g/mol
LogP-0.27
Rot. Bonds5

About (2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N,2-dihydroxy-4-oxobutanamide

(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N,2-dihydroxy-4-oxobutanamide (PubChem CID 87818028) has the molecular formula C14H18FN3O4 and a molecular weight of 311.31 g/mol. Its IUPAC name is (2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N,2-dihydroxy-4-oxobutanamide.

Molecular Properties

Compound Name(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N,2-dihydroxy-4-oxobutanamide
PubChem CID87818028
Molecular FormulaC14H18FN3O4
Molecular Weight311.31 g/mol
Exact Mass311.13
IUPAC Name(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N,2-dihydroxy-4-oxobutanamide
SMILESO=CC[C@@](O)(C(=O)NO)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C14H18FN3O4/c15-11-1-3-12(4-2-11)17-6-8-18(9-7-17)14(21,5-10-19)13(20)16-22/h1-4,10,21-22H,5-9H2,(H,16,20)/t14-/m1/s1
InChIKeySRSIJNLYGAVAKI-CQSZACIVSA-N
XLogP-0.27
TPSA93.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(ethylamino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 62832473
N-(2-acetamidoethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 108514164
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-formamidopropyl)-2-oxoacetamide
CID 108514136
1-[4-(4-fluorophenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 4083768
4-[4-(4-fluorophenyl)piperazin-1-yl]benzaldehyde
CID 28603665
ethane;1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-methylhydrazinyl)ethanone
CID 142843333
N-(4-fluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethyl-3-oxopropanamide
CID 108964923
1-(4-acetylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethane-1,2-dione
CID 108508298
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2,2-dimethylpropanamide
CID 42266574
N-[4-(4-fluorophenyl)piperazin-1-yl]hexadecanamide
CID 46230417
N-[(E)-but-1-enyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 108910602

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N,2-dihydroxy-4-oxobutanamide?
The IUPAC name of (2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N,2-dihydroxy-4-oxobutanamide (CID 87818028) is (2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N,2-dihydroxy-4-oxobutanamide.
What is the SMILES notation for (2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N,2-dihydroxy-4-oxobutanamide?
The canonical SMILES for (2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N,2-dihydroxy-4-oxobutanamide is O=CC[C@@](O)(C(=O)NO)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of (2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N,2-dihydroxy-4-oxobutanamide?
The InChIKey is SRSIJNLYGAVAKI-CQSZACIVSA-N. The full InChI is InChI=1S/C14H18FN3O4/c15-11-1-3-12(4-2-11)17-6-8-18(9-7-17)14(21,5-10-19)13(20)16-22/h1-4,10,21-22H,5-9H2,(H,16,20)/t14-/m1/s1.
What are the key properties of (2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N,2-dihydroxy-4-oxobutanamide?
(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N,2-dihydroxy-4-oxobutanamide has a molecular weight of 311.31 g/mol, XLogP of -0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N,2-dihydroxy-4-oxobutanamide is sourced from PubChem (CID 87818028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).