[5-benzoyl-1-[(2S)-1-hydroxypropan-2-yl]-4-phenylpiperidin-3-yl]-phenylmethanone

C28H29NO3 — CID 16725782

IUPAC[5-benzoyl-1-[(2S)-1-hydroxypropan-2-yl]-4-phenylpiperidin-3-yl]-phenylmethanone
SMILESC[C@@H](CO)N1CC(C(=O)c2ccccc2)C(c2ccccc2)C(C(=O)c2ccccc2)C1
InChIInChI=1S/C28H29NO3/c1-20(19-30)29-17-24(27(31)22-13-7-3-8-14-22)26(21-11-5-2-6-12-21)25(18-29)28(32)23-15-9-4-10-16-23/h2-16,20,24-26,30H,17-19H2,1H3/t20-,24?,25?,26?/m0/s1
InChIKeyPCZBPXBQEQZJDP-XEWUMVRVSA-N
MW427.54 g/mol
LogP4.46
Rot. Bonds7

About [5-benzoyl-1-[(2S)-1-hydroxypropan-2-yl]-4-phenylpiperidin-3-yl]-phenylmethanone

[5-benzoyl-1-[(2S)-1-hydroxypropan-2-yl]-4-phenylpiperidin-3-yl]-phenylmethanone (PubChem CID 16725782) has the molecular formula C28H29NO3 and a molecular weight of 427.54 g/mol. Its IUPAC name is [5-benzoyl-1-[(2S)-1-hydroxypropan-2-yl]-4-phenylpiperidin-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-benzoyl-1-[(2S)-1-hydroxypropan-2-yl]-4-phenylpiperidin-3-yl]-phenylmethanone
PubChem CID16725782
Molecular FormulaC28H29NO3
Molecular Weight427.54 g/mol
Exact Mass427.21
IUPAC Name[5-benzoyl-1-[(2S)-1-hydroxypropan-2-yl]-4-phenylpiperidin-3-yl]-phenylmethanone
SMILESC[C@@H](CO)N1CC(C(=O)c2ccccc2)C(c2ccccc2)C(C(=O)c2ccccc2)C1
InChIInChI=1S/C28H29NO3/c1-20(19-30)29-17-24(27(31)22-13-7-3-8-14-22)26(21-11-5-2-6-12-21)25(18-29)28(32)23-15-9-4-10-16-23/h2-16,20,24-26,30H,17-19H2,1H3/t20-,24?,25?,26?/m0/s1
InChIKeyPCZBPXBQEQZJDP-XEWUMVRVSA-N
XLogP4.46
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.54
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R,5S)-5-benzoyl-1-(1,3-dihydroxypropan-2-yl)-4-phenylpiperidin-3-yl]-phenylmethanone
CID 68881536
[(3S,5R)-5-benzoyl-1-hydroxy-4-phenylpiperidin-3-yl]-phenylmethanone
CID 23267945
2-(3,5-dibenzoyl-4-phenylpiperidin-1-yl)-N,3,3-trimethylbutanamide
CID 16725384
[(3S,5S)-5-benzoyl-1-benzyl-4-phenylpiperidin-3-yl]-phenylmethanone
CID 40951113
3-(3,5-dibenzoyl-4-phenylpiperidin-1-yl)propanoic acid
CID 68879746
[(5S)-5-benzoyl-1-[2-(dimethylamino)ethyl]-4-phenylpiperidin-3-yl]-phenylmethanone
CID 90821158
ethyl 3-[(3S,5R)-3,5-dibenzoyl-4-phenylpiperidin-1-yl]propanoate
CID 68880450
[(3S,5R)-5-benzoyl-1-(oxolan-2-ylmethyl)-4-phenylpiperidin-3-yl]-phenylmethanone
CID 68880506
(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
2-[3,5-dibenzoyl-4-(3-chlorophenyl)piperidin-1-yl]-N,N-dimethylacetamide
CID 68880462
(4-benzoyl-1-methylpyrrolidin-3-yl)-phenylmethanone
CID 4269490
[(3R,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]-phenylmethanone
CID 125474288

Frequently Asked Questions

What is the IUPAC name of [5-benzoyl-1-[(2S)-1-hydroxypropan-2-yl]-4-phenylpiperidin-3-yl]-phenylmethanone?
The IUPAC name of [5-benzoyl-1-[(2S)-1-hydroxypropan-2-yl]-4-phenylpiperidin-3-yl]-phenylmethanone (CID 16725782) is [5-benzoyl-1-[(2S)-1-hydroxypropan-2-yl]-4-phenylpiperidin-3-yl]-phenylmethanone.
What is the SMILES notation for [5-benzoyl-1-[(2S)-1-hydroxypropan-2-yl]-4-phenylpiperidin-3-yl]-phenylmethanone?
The canonical SMILES for [5-benzoyl-1-[(2S)-1-hydroxypropan-2-yl]-4-phenylpiperidin-3-yl]-phenylmethanone is C[C@@H](CO)N1CC(C(=O)c2ccccc2)C(c2ccccc2)C(C(=O)c2ccccc2)C1.
What is the InChIKey of [5-benzoyl-1-[(2S)-1-hydroxypropan-2-yl]-4-phenylpiperidin-3-yl]-phenylmethanone?
The InChIKey is PCZBPXBQEQZJDP-XEWUMVRVSA-N. The full InChI is InChI=1S/C28H29NO3/c1-20(19-30)29-17-24(27(31)22-13-7-3-8-14-22)26(21-11-5-2-6-12-21)25(18-29)28(32)23-15-9-4-10-16-23/h2-16,20,24-26,30H,17-19H2,1H3/t20-,24?,25?,26?/m0/s1.
What are the key properties of [5-benzoyl-1-[(2S)-1-hydroxypropan-2-yl]-4-phenylpiperidin-3-yl]-phenylmethanone?
[5-benzoyl-1-[(2S)-1-hydroxypropan-2-yl]-4-phenylpiperidin-3-yl]-phenylmethanone has a molecular weight of 427.54 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-benzoyl-1-[(2S)-1-hydroxypropan-2-yl]-4-phenylpiperidin-3-yl]-phenylmethanone is sourced from PubChem (CID 16725782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).