N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-3-(4-phenylphenyl)piperidine-1-carboxamide

C22H27N3O4 — CID 88903716

IUPACN-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-3-(4-phenylphenyl)piperidine-1-carboxamide
SMILESC[C@@H](O)[C@H](NC(=O)N1CCCC(c2ccc(-c3ccccc3)cc2)C1)C(=O)NO
InChIInChI=1S/C22H27N3O4/c1-15(26)20(21(27)24-29)23-22(28)25-13-5-8-19(14-25)18-11-9-17(10-12-18)16-6-3-2-4-7-16/h2-4,6-7,9-12,15,19-20,26,29H,5,8,13-14H2,1H3,(H,23,28)(H,24,27)/t15-,19?,20+/m1/s1
InChIKeyMYJLGKFJDJASBG-XGNLNOIOSA-N
MW397.48 g/mol
LogP2.50
Rot. Bonds5

About N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-3-(4-phenylphenyl)piperidine-1-carboxamide

N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-3-(4-phenylphenyl)piperidine-1-carboxamide (PubChem CID 88903716) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-3-(4-phenylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-3-(4-phenylphenyl)piperidine-1-carboxamide
PubChem CID88903716
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-3-(4-phenylphenyl)piperidine-1-carboxamide
SMILESC[C@@H](O)[C@H](NC(=O)N1CCCC(c2ccc(-c3ccccc3)cc2)C1)C(=O)NO
InChIInChI=1S/C22H27N3O4/c1-15(26)20(21(27)24-29)23-22(28)25-13-5-8-19(14-25)18-11-9-17(10-12-18)16-6-3-2-4-7-16/h2-4,6-7,9-12,15,19-20,26,29H,5,8,13-14H2,1H3,(H,23,28)(H,24,27)/t15-,19?,20+/m1/s1
InChIKeyMYJLGKFJDJASBG-XGNLNOIOSA-N
XLogP2.50
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.50
H-Bond Donors ≤ 54
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 N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-3-(4-phenylphenyl)piperidine-1-carboxamide 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

N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(4-phenylphenyl)piperidine-1-carboxamide
CID 44633511
N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-(4-phenylphenyl)piperidine-1-carboxamide
CID 58412828
3-amino-N-hydroxy-2-[4-(4-phenylphenyl)piperidin-1-yl]butanamide
CID 144791883
N-pentan-3-yl-3-phenylazepane-1-carboxamide
CID 121146230
(3S)-3-(4-chlorophenyl)-N-propan-2-ylazepane-1-carboxamide
CID 99876758
3-methyl-1-(3-phenylpiperidin-1-yl)butan-1-one
CID 141126685
2,3-dihydroxy-N-methyl-4-oxo-4-[4-(4-phenylphenyl)piperidin-1-yl]butanamide
CID 23585285
(2S,3R)-2-[(3-aminopiperidine-1-carbonyl)amino]-3-hydroxybutanoic acid
CID 104965949
(3R)-3-phenyl-N-(2-phenylphenyl)piperidine-1-carboxamide
CID 1433497
N-benzhydryl-3-(4-fluorophenyl)azepane-1-carboxamide
CID 121130962
2-methyl-1-(3-phenylazepan-1-yl)propan-1-one
CID 90608399
(2S,3R)-N,3-dihydroxy-2-[1-(4-phenylphenyl)ethylamino]butanamide
CID 59697640

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-3-(4-phenylphenyl)piperidine-1-carboxamide?
The IUPAC name of N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-3-(4-phenylphenyl)piperidine-1-carboxamide (CID 88903716) is N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-3-(4-phenylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-3-(4-phenylphenyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-3-(4-phenylphenyl)piperidine-1-carboxamide is C[C@@H](O)[C@H](NC(=O)N1CCCC(c2ccc(-c3ccccc3)cc2)C1)C(=O)NO.
What is the InChIKey of N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-3-(4-phenylphenyl)piperidine-1-carboxamide?
The InChIKey is MYJLGKFJDJASBG-XGNLNOIOSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-15(26)20(21(27)24-29)23-22(28)25-13-5-8-19(14-25)18-11-9-17(10-12-18)16-6-3-2-4-7-16/h2-4,6-7,9-12,15,19-20,26,29H,5,8,13-14H2,1H3,(H,23,28)(H,24,27)/t15-,19?,20+/m1/s1.
What are the key properties of N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-3-(4-phenylphenyl)piperidine-1-carboxamide?
N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-3-(4-phenylphenyl)piperidine-1-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 2.50, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-3-(4-phenylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 88903716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).