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

C29H32N2O2 — CID 90821158

IUPAC[(5S)-5-benzoyl-1-[2-(dimethylamino)ethyl]-4-phenylpiperidin-3-yl]-phenylmethanone
SMILESCN(C)CCN1CC(C(=O)c2ccccc2)C(c2ccccc2)[C@H](C(=O)c2ccccc2)C1
InChIInChI=1S/C29H32N2O2/c1-30(2)18-19-31-20-25(28(32)23-14-8-4-9-15-23)27(22-12-6-3-7-13-22)26(21-31)29(33)24-16-10-5-11-17-24/h3-17,25-27H,18-21H2,1-2H3/t25-,26?,27?/m1/s1
InChIKeyAFVWQZLQIFZBEG-FKDZAPPDSA-N
MW440.59 g/mol
LogP4.65
Rot. Bonds8

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

[(5S)-5-benzoyl-1-[2-(dimethylamino)ethyl]-4-phenylpiperidin-3-yl]-phenylmethanone (PubChem CID 90821158) has the molecular formula C29H32N2O2 and a molecular weight of 440.59 g/mol. Its IUPAC name is [(5S)-5-benzoyl-1-[2-(dimethylamino)ethyl]-4-phenylpiperidin-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[(5S)-5-benzoyl-1-[2-(dimethylamino)ethyl]-4-phenylpiperidin-3-yl]-phenylmethanone
PubChem CID90821158
Molecular FormulaC29H32N2O2
Molecular Weight440.59 g/mol
Exact Mass440.25
IUPAC Name[(5S)-5-benzoyl-1-[2-(dimethylamino)ethyl]-4-phenylpiperidin-3-yl]-phenylmethanone
SMILESCN(C)CCN1CC(C(=O)c2ccccc2)C(c2ccccc2)[C@H](C(=O)c2ccccc2)C1
InChIInChI=1S/C29H32N2O2/c1-30(2)18-19-31-20-25(28(32)23-14-8-4-9-15-23)27(22-12-6-3-7-13-22)26(21-31)29(33)24-16-10-5-11-17-24/h3-17,25-27H,18-21H2,1-2H3/t25-,26?,27?/m1/s1
InChIKeyAFVWQZLQIFZBEG-FKDZAPPDSA-N
XLogP4.65
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dibenzoyl-4-phenylpiperidin-1-yl)propanoic acid
CID 68879746
[(3S,5S)-5-benzoyl-1-benzyl-4-phenylpiperidin-3-yl]-phenylmethanone
CID 40951113
ethyl 3-[(3S,5R)-3,5-dibenzoyl-4-phenylpiperidin-1-yl]propanoate
CID 68880450
[(3S,5R)-5-benzoyl-1-hydroxy-4-phenylpiperidin-3-yl]-phenylmethanone
CID 23267945
2-[3,5-dibenzoyl-4-(3-chlorophenyl)piperidin-1-yl]-N,N-dimethylacetamide
CID 68880462
[(3R,5S)-1-[2-(dimethylamino)ethyl]-4-(2,3-dimethylphenyl)-5-(3-fluorobenzoyl)piperidin-3-yl]-(3-fluorophenyl)methanone
CID 68880558
(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
[5-benzoyl-1-[(2S)-1-hydroxypropan-2-yl]-4-phenylpiperidin-3-yl]-phenylmethanone
CID 16725782
[(3R,5S)-5-benzoyl-1-(1,3-dihydroxypropan-2-yl)-4-phenylpiperidin-3-yl]-phenylmethanone
CID 68881536
[(3S,5R)-5-benzoyl-1-(oxolan-2-ylmethyl)-4-phenylpiperidin-3-yl]-phenylmethanone
CID 68880506
methyl N-[2-[(3R,5R)-3,5-dibenzoyl-4-(2,3-dimethylphenyl)piperidin-1-yl]ethyl]-N-methoxycarbonylcarbamate
CID 91438600
2-[(3R,5R)-3,5-dibenzoyl-4-(2-hydroxyphenyl)piperidin-1-yl]-N,N-dimethylacetamide
CID 68882314

Frequently Asked Questions

What is the IUPAC name of [(5S)-5-benzoyl-1-[2-(dimethylamino)ethyl]-4-phenylpiperidin-3-yl]-phenylmethanone?
The IUPAC name of [(5S)-5-benzoyl-1-[2-(dimethylamino)ethyl]-4-phenylpiperidin-3-yl]-phenylmethanone (CID 90821158) is [(5S)-5-benzoyl-1-[2-(dimethylamino)ethyl]-4-phenylpiperidin-3-yl]-phenylmethanone.
What is the SMILES notation for [(5S)-5-benzoyl-1-[2-(dimethylamino)ethyl]-4-phenylpiperidin-3-yl]-phenylmethanone?
The canonical SMILES for [(5S)-5-benzoyl-1-[2-(dimethylamino)ethyl]-4-phenylpiperidin-3-yl]-phenylmethanone is CN(C)CCN1CC(C(=O)c2ccccc2)C(c2ccccc2)[C@H](C(=O)c2ccccc2)C1.
What is the InChIKey of [(5S)-5-benzoyl-1-[2-(dimethylamino)ethyl]-4-phenylpiperidin-3-yl]-phenylmethanone?
The InChIKey is AFVWQZLQIFZBEG-FKDZAPPDSA-N. The full InChI is InChI=1S/C29H32N2O2/c1-30(2)18-19-31-20-25(28(32)23-14-8-4-9-15-23)27(22-12-6-3-7-13-22)26(21-31)29(33)24-16-10-5-11-17-24/h3-17,25-27H,18-21H2,1-2H3/t25-,26?,27?/m1/s1.
What are the key properties of [(5S)-5-benzoyl-1-[2-(dimethylamino)ethyl]-4-phenylpiperidin-3-yl]-phenylmethanone?
[(5S)-5-benzoyl-1-[2-(dimethylamino)ethyl]-4-phenylpiperidin-3-yl]-phenylmethanone has a molecular weight of 440.59 g/mol, XLogP of 4.65, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-5-benzoyl-1-[2-(dimethylamino)ethyl]-4-phenylpiperidin-3-yl]-phenylmethanone is sourced from PubChem (CID 90821158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).