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

C22H27N3O4 — CID 44633511

IUPACN-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(4-phenylphenyl)piperidine-1-carboxamide
SMILESC[C@@H](O)[C@H](NC(=O)N1CCC(c2ccc(-c3ccccc3)cc2)CC1)C(=O)NO
InChIInChI=1S/C22H27N3O4/c1-15(26)20(21(27)24-29)23-22(28)25-13-11-19(12-14-25)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-10,15,19-20,26,29H,11-14H2,1H3,(H,23,28)(H,24,27)/t15-,20+/m1/s1
InChIKeyCLSVZDVMSBFQPQ-QRWLVFNGSA-N
MW397.48 g/mol
LogP2.50
Rot. Bonds5

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

N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(4-phenylphenyl)piperidine-1-carboxamide (PubChem CID 44633511) 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]-4-(4-phenylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(4-phenylphenyl)piperidine-1-carboxamide
PubChem CID44633511
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(4-phenylphenyl)piperidine-1-carboxamide
SMILESC[C@@H](O)[C@H](NC(=O)N1CCC(c2ccc(-c3ccccc3)cc2)CC1)C(=O)NO
InChIInChI=1S/C22H27N3O4/c1-15(26)20(21(27)24-29)23-22(28)25-13-11-19(12-14-25)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-10,15,19-20,26,29H,11-14H2,1H3,(H,23,28)(H,24,27)/t15-,20+/m1/s1
InChIKeyCLSVZDVMSBFQPQ-QRWLVFNGSA-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'}

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Related Compounds

N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-3-(4-phenylphenyl)piperidine-1-carboxamide
CID 88903716
N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-(4-phenylphenyl)piperidine-1-carboxamide
CID 58412828
2,3-dihydroxy-N-methyl-4-oxo-4-[4-(4-phenylphenyl)piperidin-1-yl]butanamide
CID 23585285
3-amino-N-hydroxy-2-[4-(4-phenylphenyl)piperidin-1-yl]butanamide
CID 144791883
N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-phenylpiperidine-1-carboxamide;N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-(4-propylphenyl)piperidine-1-carboxamide
CID 123545257
N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-[4-[[2-(4-phenylpiperidin-1-yl)acetyl]amino]phenyl]benzamide
CID 88873816
4-[4-(4-fluorophenyl)phenyl]-N-[(2R,3S)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]piperazine-1-carboxamide
CID 88903708
4-(4-phenylphenyl)piperidine-1-carboxamide
CID 173092095
(2S,3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-2-[[2-(4-phenylphenyl)acetyl]amino]butanamide;methane
CID 158810597
N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(4-phenylphenyl)acetamide
CID 67299469
(2S,3R)-N,3-dihydroxy-2-[1-(4-phenylphenyl)ethylamino]butanamide
CID 59697640
N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-[2-[4-[[2-(4-phenylpiperidin-1-yl)acetyl]amino]phenyl]ethynyl]benzamide
CID 59697008

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(4-phenylphenyl)piperidine-1-carboxamide?
The IUPAC name of N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(4-phenylphenyl)piperidine-1-carboxamide (CID 44633511) is N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(4-phenylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(4-phenylphenyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(4-phenylphenyl)piperidine-1-carboxamide is C[C@@H](O)[C@H](NC(=O)N1CCC(c2ccc(-c3ccccc3)cc2)CC1)C(=O)NO.
What is the InChIKey of N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(4-phenylphenyl)piperidine-1-carboxamide?
The InChIKey is CLSVZDVMSBFQPQ-QRWLVFNGSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-15(26)20(21(27)24-29)23-22(28)25-13-11-19(12-14-25)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-10,15,19-20,26,29H,11-14H2,1H3,(H,23,28)(H,24,27)/t15-,20+/m1/s1.
What are the key properties of N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(4-phenylphenyl)piperidine-1-carboxamide?
N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(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]-4-(4-phenylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 44633511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).