2-(3,5-dibenzoyl-4-phenylpiperidin-1-yl)-N,3,3-trimethylbutanamide

C32H36N2O3 — CID 16725384

IUPAC2-(3,5-dibenzoyl-4-phenylpiperidin-1-yl)-N,3,3-trimethylbutanamide
SMILESCNC(=O)C(N1CC(C(=O)c2ccccc2)C(c2ccccc2)C(C(=O)c2ccccc2)C1)C(C)(C)C
InChIInChI=1S/C32H36N2O3/c1-32(2,3)30(31(37)33-4)34-20-25(28(35)23-16-10-6-11-17-23)27(22-14-8-5-9-15-22)26(21-34)29(36)24-18-12-7-13-19-24/h5-19,25-27,30H,20-21H2,1-4H3,(H,33,37)
InChIKeyAXTBIMGWQJOALM-UHFFFAOYSA-N
MW496.65 g/mol
LogP5.24
Rot. Bonds7

About 2-(3,5-dibenzoyl-4-phenylpiperidin-1-yl)-N,3,3-trimethylbutanamide

2-(3,5-dibenzoyl-4-phenylpiperidin-1-yl)-N,3,3-trimethylbutanamide (PubChem CID 16725384) has the molecular formula C32H36N2O3 and a molecular weight of 496.65 g/mol. Its IUPAC name is 2-(3,5-dibenzoyl-4-phenylpiperidin-1-yl)-N,3,3-trimethylbutanamide.

Molecular Properties

Compound Name2-(3,5-dibenzoyl-4-phenylpiperidin-1-yl)-N,3,3-trimethylbutanamide
PubChem CID16725384
Molecular FormulaC32H36N2O3
Molecular Weight496.65 g/mol
Exact Mass496.27
IUPAC Name2-(3,5-dibenzoyl-4-phenylpiperidin-1-yl)-N,3,3-trimethylbutanamide
SMILESCNC(=O)C(N1CC(C(=O)c2ccccc2)C(c2ccccc2)C(C(=O)c2ccccc2)C1)C(C)(C)C
InChIInChI=1S/C32H36N2O3/c1-32(2,3)30(31(37)33-4)34-20-25(28(35)23-16-10-6-11-17-23)27(22-14-8-5-9-15-22)26(21-34)29(36)24-18-12-7-13-19-24/h5-19,25-27,30H,20-21H2,1-4H3,(H,33,37)
InChIKeyAXTBIMGWQJOALM-UHFFFAOYSA-N
XLogP5.24
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.65
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,5-dibenzoyl-4-phenylpiperidin-1-yl)-N,3,3-trimethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[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-hydroxy-4-phenylpiperidin-3-yl]-phenylmethanone
CID 23267945
[(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
(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
ethyl 3-[(3S,5R)-3,5-dibenzoyl-4-phenylpiperidin-1-yl]propanoate
CID 68880450
(4-benzoyl-1-methylpyrrolidin-3-yl)-phenylmethanone
CID 4269490
[(3S,5R)-5-benzoyl-1-(oxolan-2-ylmethyl)-4-phenylpiperidin-3-yl]-phenylmethanone
CID 68880506
4-[(1S,2S)-3-benzoyl-2-(4-carboxyphenyl)cyclobutyl]benzoic acid
CID 155223310
[(2S,3R)-2,3-diphenylcyclopropyl]-phenylmethanone
CID 13111202

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dibenzoyl-4-phenylpiperidin-1-yl)-N,3,3-trimethylbutanamide?
The IUPAC name of 2-(3,5-dibenzoyl-4-phenylpiperidin-1-yl)-N,3,3-trimethylbutanamide (CID 16725384) is 2-(3,5-dibenzoyl-4-phenylpiperidin-1-yl)-N,3,3-trimethylbutanamide.
What is the SMILES notation for 2-(3,5-dibenzoyl-4-phenylpiperidin-1-yl)-N,3,3-trimethylbutanamide?
The canonical SMILES for 2-(3,5-dibenzoyl-4-phenylpiperidin-1-yl)-N,3,3-trimethylbutanamide is CNC(=O)C(N1CC(C(=O)c2ccccc2)C(c2ccccc2)C(C(=O)c2ccccc2)C1)C(C)(C)C.
What is the InChIKey of 2-(3,5-dibenzoyl-4-phenylpiperidin-1-yl)-N,3,3-trimethylbutanamide?
The InChIKey is AXTBIMGWQJOALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N2O3/c1-32(2,3)30(31(37)33-4)34-20-25(28(35)23-16-10-6-11-17-23)27(22-14-8-5-9-15-22)26(21-34)29(36)24-18-12-7-13-19-24/h5-19,25-27,30H,20-21H2,1-4H3,(H,33,37).
What are the key properties of 2-(3,5-dibenzoyl-4-phenylpiperidin-1-yl)-N,3,3-trimethylbutanamide?
2-(3,5-dibenzoyl-4-phenylpiperidin-1-yl)-N,3,3-trimethylbutanamide has a molecular weight of 496.65 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dibenzoyl-4-phenylpiperidin-1-yl)-N,3,3-trimethylbutanamide is sourced from PubChem (CID 16725384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).