N-[(2R)-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-(4-phenylphenyl)piperazine-1-carboxamide

C22H28N4O4 — CID 53318298

IUPACN-[(2R)-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-(4-phenylphenyl)piperazine-1-carboxamide
SMILESCC(C)(O)[C@@H](NC(=O)N1CCN(c2ccc(-c3ccccc3)cc2)CC1)C(=O)NO
InChIInChI=1S/C22H28N4O4/c1-22(2,29)19(20(27)24-30)23-21(28)26-14-12-25(13-15-26)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,19,29-30H,12-15H2,1-2H3,(H,23,28)(H,24,27)/t19-/m0/s1
InChIKeySIVILNBKTVDFQQ-IBGZPJMESA-N
MW412.49 g/mol
LogP1.83
Rot. Bonds5

About N-[(2R)-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-(4-phenylphenyl)piperazine-1-carboxamide

N-[(2R)-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-(4-phenylphenyl)piperazine-1-carboxamide (PubChem CID 53318298) has the molecular formula C22H28N4O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[(2R)-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-(4-phenylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-(4-phenylphenyl)piperazine-1-carboxamide
PubChem CID53318298
Molecular FormulaC22H28N4O4
Molecular Weight412.49 g/mol
Exact Mass412.21
IUPAC NameN-[(2R)-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-(4-phenylphenyl)piperazine-1-carboxamide
SMILESCC(C)(O)[C@@H](NC(=O)N1CCN(c2ccc(-c3ccccc3)cc2)CC1)C(=O)NO
InChIInChI=1S/C22H28N4O4/c1-22(2,29)19(20(27)24-30)23-21(28)26-14-12-25(13-15-26)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,19,29-30H,12-15H2,1-2H3,(H,23,28)(H,24,27)/t19-/m0/s1
InChIKeySIVILNBKTVDFQQ-IBGZPJMESA-N
XLogP1.83
TPSA105.14 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 51.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

N-[(2R)-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[4-(2-phenylethynyl)phenyl]piperazine-1-carboxamide
CID 51003434
4-[4-[2-(4-aminophenyl)ethynyl]phenyl]-N-[(2S)-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]piperazine-1-carboxamide
CID 130347585
4-[4-(4-fluorophenyl)phenyl]-N-[(2R,3S)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]piperazine-1-carboxamide
CID 88903708
4-(4-tert-butylphenyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 113076586
N-[(2R,3S)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-[4-(4-morpholin-4-ylphenyl)phenyl]piperazine-1-carboxamide
CID 88903970
4-[4-(4-phenylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051557
N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 71829787
N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 52902639
1-(4-phenylphenyl)aziridine
CID 152682568
[4-(4-hydroxyphenyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 8779428
4-[4-(dimethylamino)phenyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 113078773
N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(4-phenylphenyl)piperidine-1-carboxamide
CID 44633511

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-(4-phenylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-[(2R)-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-(4-phenylphenyl)piperazine-1-carboxamide (CID 53318298) is N-[(2R)-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-(4-phenylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(2R)-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-(4-phenylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(2R)-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-(4-phenylphenyl)piperazine-1-carboxamide is CC(C)(O)[C@@H](NC(=O)N1CCN(c2ccc(-c3ccccc3)cc2)CC1)C(=O)NO.
What is the InChIKey of N-[(2R)-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-(4-phenylphenyl)piperazine-1-carboxamide?
The InChIKey is SIVILNBKTVDFQQ-IBGZPJMESA-N. The full InChI is InChI=1S/C22H28N4O4/c1-22(2,29)19(20(27)24-30)23-21(28)26-14-12-25(13-15-26)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,19,29-30H,12-15H2,1-2H3,(H,23,28)(H,24,27)/t19-/m0/s1.
What are the key properties of N-[(2R)-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-(4-phenylphenyl)piperazine-1-carboxamide?
N-[(2R)-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-(4-phenylphenyl)piperazine-1-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 1.83, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-(4-phenylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 53318298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).