N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-(4-phenylphenyl)piperidine-1-carboxamide

C23H28N2O4 — CID 58412828

IUPACN-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-(4-phenylphenyl)piperidine-1-carboxamide
SMILESC[C@@H](O)[C@H](NC(=O)N1CCC(c2ccc(-c3ccccc3)cc2)CC1)C(=O)CO
InChIInChI=1S/C23H28N2O4/c1-16(27)22(21(28)15-26)24-23(29)25-13-11-20(12-14-25)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-10,16,20,22,26-27H,11-15H2,1H3,(H,24,29)/t16-,22+/m1/s1
InChIKeyIQJBARBIOBEHRD-ZHRRBRCNSA-N
MW396.49 g/mol
LogP2.55
Rot. Bonds6

About N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-(4-phenylphenyl)piperidine-1-carboxamide

N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-(4-phenylphenyl)piperidine-1-carboxamide (PubChem CID 58412828) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-(4-phenylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-(4-phenylphenyl)piperidine-1-carboxamide
PubChem CID58412828
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-(4-phenylphenyl)piperidine-1-carboxamide
SMILESC[C@@H](O)[C@H](NC(=O)N1CCC(c2ccc(-c3ccccc3)cc2)CC1)C(=O)CO
InChIInChI=1S/C23H28N2O4/c1-16(27)22(21(28)15-26)24-23(29)25-13-11-20(12-14-25)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-10,16,20,22,26-27H,11-15H2,1H3,(H,24,29)/t16-,22+/m1/s1
InChIKeyIQJBARBIOBEHRD-ZHRRBRCNSA-N
XLogP2.55
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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-phenylphenyl)piperidine-1-carboxamide
CID 44633511
N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-3-(4-phenylphenyl)piperidine-1-carboxamide
CID 88903716
2,3-dihydroxy-N-methyl-4-oxo-4-[4-(4-phenylphenyl)piperidin-1-yl]butanamide
CID 23585285
N-[(3S,4S)-1,4-dihydroxy-2-oxopentan-3-yl]-4-[4-(2-phenylethynyl)phenyl]piperazine-1-carboxamide
CID 58412906
1,4-dihydroxy-4-methyl-3-[4-(4-phenylphenyl)piperidin-1-yl]pentan-2-one
CID 157384353
4-(hydroxymethyl)-N-[1-(4-phenylphenyl)ethyl]piperidine-1-carboxamide
CID 110894921
4-(4-phenylphenyl)piperidine-1-carboxamide
CID 173092095
N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(4-phenylphenyl)acetamide
CID 67299469
N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-[4-[[2-(4-phenylpiperidin-1-yl)acetyl]amino]phenyl]benzamide
CID 88873816
methyl (2R,3S)-3-(1H-indol-3-yl)-2-[(4-phenylpiperidine-1-carbonyl)amino]butanoate
CID 58723973
3-amino-N-hydroxy-2-[4-(4-phenylphenyl)piperidin-1-yl]butanamide
CID 144791883

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-(4-phenylphenyl)piperidine-1-carboxamide?
The IUPAC name of N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-(4-phenylphenyl)piperidine-1-carboxamide (CID 58412828) is N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-(4-phenylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-(4-phenylphenyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-(4-phenylphenyl)piperidine-1-carboxamide is C[C@@H](O)[C@H](NC(=O)N1CCC(c2ccc(-c3ccccc3)cc2)CC1)C(=O)CO.
What is the InChIKey of N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-(4-phenylphenyl)piperidine-1-carboxamide?
The InChIKey is IQJBARBIOBEHRD-ZHRRBRCNSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-16(27)22(21(28)15-26)24-23(29)25-13-11-20(12-14-25)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-10,16,20,22,26-27H,11-15H2,1H3,(H,24,29)/t16-,22+/m1/s1.
What are the key properties of N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-(4-phenylphenyl)piperidine-1-carboxamide?
N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-(4-phenylphenyl)piperidine-1-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 2.55, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-(4-phenylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 58412828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).