[(3S,5R)-5-benzoyl-1-hydroxy-4-phenylpiperidin-3-yl]-phenylmethanone

C25H23NO3 — CID 23267945

IUPAC[(3S,5R)-5-benzoyl-1-hydroxy-4-phenylpiperidin-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)[C@H]1CN(O)C[C@@H](C(=O)c2ccccc2)C1c1ccccc1
InChIInChI=1S/C25H23NO3/c27-24(19-12-6-2-7-13-19)21-16-26(29)17-22(23(21)18-10-4-1-5-11-18)25(28)20-14-8-3-9-15-20/h1-15,21-23,29H,16-17H2/t21-,22+,23?
InChIKeyPSDMNFVKBLPASV-AIZNXBIQSA-N
MW385.46 g/mol
LogP4.47
Rot. Bonds5

About [(3S,5R)-5-benzoyl-1-hydroxy-4-phenylpiperidin-3-yl]-phenylmethanone

[(3S,5R)-5-benzoyl-1-hydroxy-4-phenylpiperidin-3-yl]-phenylmethanone (PubChem CID 23267945) has the molecular formula C25H23NO3 and a molecular weight of 385.46 g/mol. Its IUPAC name is [(3S,5R)-5-benzoyl-1-hydroxy-4-phenylpiperidin-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[(3S,5R)-5-benzoyl-1-hydroxy-4-phenylpiperidin-3-yl]-phenylmethanone
PubChem CID23267945
Molecular FormulaC25H23NO3
Molecular Weight385.46 g/mol
Exact Mass385.17
IUPAC Name[(3S,5R)-5-benzoyl-1-hydroxy-4-phenylpiperidin-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)[C@H]1CN(O)C[C@@H](C(=O)c2ccccc2)C1c1ccccc1
InChIInChI=1S/C25H23NO3/c27-24(19-12-6-2-7-13-19)21-16-26(29)17-22(23(21)18-10-4-1-5-11-18)25(28)20-14-8-3-9-15-20/h1-15,21-23,29H,16-17H2/t21-,22+,23?
InChIKeyPSDMNFVKBLPASV-AIZNXBIQSA-N
XLogP4.47
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S,5S)-5-benzoyl-1-benzyl-4-phenylpiperidin-3-yl]-phenylmethanone
CID 40951113
[(3R,5S)-5-benzoyl-1-(1,3-dihydroxypropan-2-yl)-4-phenylpiperidin-3-yl]-phenylmethanone
CID 68881536
3-(3,5-dibenzoyl-4-phenylpiperidin-1-yl)propanoic acid
CID 68879746
[5-benzoyl-1-[(2S)-1-hydroxypropan-2-yl]-4-phenylpiperidin-3-yl]-phenylmethanone
CID 16725782
[(5S)-5-benzoyl-1-[2-(dimethylamino)ethyl]-4-phenylpiperidin-3-yl]-phenylmethanone
CID 90821158
[(3S,5R)-5-benzoyl-1-(oxolan-2-ylmethyl)-4-phenylpiperidin-3-yl]-phenylmethanone
CID 68880506
2-(3,5-dibenzoyl-4-phenylpiperidin-1-yl)-N,3,3-trimethylbutanamide
CID 16725384
ethyl 3-[(3S,5R)-3,5-dibenzoyl-4-phenylpiperidin-1-yl]propanoate
CID 68880450
[(2S,3R)-2,3-diphenylcyclopropyl]-phenylmethanone
CID 13111202
[(1R,2R)-2-benzoylcyclopropyl]-phenylmethanone
CID 12564065
(4-benzoyl-1-methylpyrrolidin-3-yl)-phenylmethanone
CID 4269490
(5-benzoyl-1-benzyl-4-phenylpiperidin-3-yl)-phenylmethanone;(5-benzoyl-1-methyl-4-phenylpiperidin-3-yl)-phenylmethanone;dimethyl 1-benzyl-4-phenylpiperidine-3,5-dicarboxylate
CID 87726084

Frequently Asked Questions

What is the IUPAC name of [(3S,5R)-5-benzoyl-1-hydroxy-4-phenylpiperidin-3-yl]-phenylmethanone?
The IUPAC name of [(3S,5R)-5-benzoyl-1-hydroxy-4-phenylpiperidin-3-yl]-phenylmethanone (CID 23267945) is [(3S,5R)-5-benzoyl-1-hydroxy-4-phenylpiperidin-3-yl]-phenylmethanone.
What is the SMILES notation for [(3S,5R)-5-benzoyl-1-hydroxy-4-phenylpiperidin-3-yl]-phenylmethanone?
The canonical SMILES for [(3S,5R)-5-benzoyl-1-hydroxy-4-phenylpiperidin-3-yl]-phenylmethanone is O=C(c1ccccc1)[C@H]1CN(O)C[C@@H](C(=O)c2ccccc2)C1c1ccccc1.
What is the InChIKey of [(3S,5R)-5-benzoyl-1-hydroxy-4-phenylpiperidin-3-yl]-phenylmethanone?
The InChIKey is PSDMNFVKBLPASV-AIZNXBIQSA-N. The full InChI is InChI=1S/C25H23NO3/c27-24(19-12-6-2-7-13-19)21-16-26(29)17-22(23(21)18-10-4-1-5-11-18)25(28)20-14-8-3-9-15-20/h1-15,21-23,29H,16-17H2/t21-,22+,23?.
What are the key properties of [(3S,5R)-5-benzoyl-1-hydroxy-4-phenylpiperidin-3-yl]-phenylmethanone?
[(3S,5R)-5-benzoyl-1-hydroxy-4-phenylpiperidin-3-yl]-phenylmethanone has a molecular weight of 385.46 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5R)-5-benzoyl-1-hydroxy-4-phenylpiperidin-3-yl]-phenylmethanone is sourced from PubChem (CID 23267945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).