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

C32H29NO2 — CID 40951113

IUPAC[(3S,5S)-5-benzoyl-1-benzyl-4-phenylpiperidin-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)[C@@H]1CN(Cc2ccccc2)C[C@@H](C(=O)c2ccccc2)C1c1ccccc1
InChIInChI=1S/C32H29NO2/c34-31(26-17-9-3-10-18-26)28-22-33(21-24-13-5-1-6-14-24)23-29(30(28)25-15-7-2-8-16-25)32(35)27-19-11-4-12-20-27/h1-20,28-30H,21-23H2/t28-,29-/m1/s1
InChIKeyIPWAFJULWVHAIF-FQLXRVMXSA-N
MW459.59 g/mol
LogP6.28
Rot. Bonds7

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

[(3S,5S)-5-benzoyl-1-benzyl-4-phenylpiperidin-3-yl]-phenylmethanone (PubChem CID 40951113) has the molecular formula C32H29NO2 and a molecular weight of 459.59 g/mol. Its IUPAC name is [(3S,5S)-5-benzoyl-1-benzyl-4-phenylpiperidin-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[(3S,5S)-5-benzoyl-1-benzyl-4-phenylpiperidin-3-yl]-phenylmethanone
PubChem CID40951113
Molecular FormulaC32H29NO2
Molecular Weight459.59 g/mol
Exact Mass459.22
IUPAC Name[(3S,5S)-5-benzoyl-1-benzyl-4-phenylpiperidin-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)[C@@H]1CN(Cc2ccccc2)C[C@@H](C(=O)c2ccccc2)C1c1ccccc1
InChIInChI=1S/C32H29NO2/c34-31(26-17-9-3-10-18-26)28-22-33(21-24-13-5-1-6-14-24)23-29(30(28)25-15-7-2-8-16-25)32(35)27-19-11-4-12-20-27/h1-20,28-30H,21-23H2/t28-,29-/m1/s1
InChIKeyIPWAFJULWVHAIF-FQLXRVMXSA-N
XLogP6.28
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.59
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]-phenylmethanone
CID 125474288
(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
[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-phenylmethanone
CID 69456850
3-(3,5-dibenzoyl-4-phenylpiperidin-1-yl)propanoic acid
CID 68879746
[(3S,5R)-5-benzoyl-1-hydroxy-4-phenylpiperidin-3-yl]-phenylmethanone
CID 23267945
[(3R,5S)-5-benzoyl-1-(1,3-dihydroxypropan-2-yl)-4-phenylpiperidin-3-yl]-phenylmethanone
CID 68881536
[(5S)-5-benzoyl-1-[2-(dimethylamino)ethyl]-4-phenylpiperidin-3-yl]-phenylmethanone
CID 90821158
(3R,4R)-4-benzoyl-1-benzyl-N-ethylpyrrolidine-3-carboxamide
CID 92592724
[(3S,4R,4aR,8aS)-1-benzyl-4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-yl]-phenylmethanone
CID 11901363
(3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid
CID 12922299
[(3S,5R)-5-benzoyl-1-(oxolan-2-ylmethyl)-4-phenylpiperidin-3-yl]-phenylmethanone
CID 68880506
ethyl 3-[(3S,5R)-3,5-dibenzoyl-4-phenylpiperidin-1-yl]propanoate
CID 68880450

Frequently Asked Questions

What is the IUPAC name of [(3S,5S)-5-benzoyl-1-benzyl-4-phenylpiperidin-3-yl]-phenylmethanone?
The IUPAC name of [(3S,5S)-5-benzoyl-1-benzyl-4-phenylpiperidin-3-yl]-phenylmethanone (CID 40951113) is [(3S,5S)-5-benzoyl-1-benzyl-4-phenylpiperidin-3-yl]-phenylmethanone.
What is the SMILES notation for [(3S,5S)-5-benzoyl-1-benzyl-4-phenylpiperidin-3-yl]-phenylmethanone?
The canonical SMILES for [(3S,5S)-5-benzoyl-1-benzyl-4-phenylpiperidin-3-yl]-phenylmethanone is O=C(c1ccccc1)[C@@H]1CN(Cc2ccccc2)C[C@@H](C(=O)c2ccccc2)C1c1ccccc1.
What is the InChIKey of [(3S,5S)-5-benzoyl-1-benzyl-4-phenylpiperidin-3-yl]-phenylmethanone?
The InChIKey is IPWAFJULWVHAIF-FQLXRVMXSA-N. The full InChI is InChI=1S/C32H29NO2/c34-31(26-17-9-3-10-18-26)28-22-33(21-24-13-5-1-6-14-24)23-29(30(28)25-15-7-2-8-16-25)32(35)27-19-11-4-12-20-27/h1-20,28-30H,21-23H2/t28-,29-/m1/s1.
What are the key properties of [(3S,5S)-5-benzoyl-1-benzyl-4-phenylpiperidin-3-yl]-phenylmethanone?
[(3S,5S)-5-benzoyl-1-benzyl-4-phenylpiperidin-3-yl]-phenylmethanone has a molecular weight of 459.59 g/mol, XLogP of 6.28, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5S)-5-benzoyl-1-benzyl-4-phenylpiperidin-3-yl]-phenylmethanone is sourced from PubChem (CID 40951113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).