1-benzyl-N-[(2,5-dimethylfuran-3-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide

C26H28N2O3 — CID 86950512

IUPAC1-benzyl-N-[(2,5-dimethylfuran-3-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide
SMILESCc1cc(CNC(=O)C2CCC(=O)N(Cc3ccccc3)C2c2ccccc2)c(C)o1
InChIInChI=1S/C26H28N2O3/c1-18-15-22(19(2)31-18)16-27-26(30)23-13-14-24(29)28(17-20-9-5-3-6-10-20)25(23)21-11-7-4-8-12-21/h3-12,15,23,25H,13-14,16-17H2,1-2H3,(H,27,30)
InChIKeyAAWDXOIZYOOCTH-UHFFFAOYSA-N
MW416.52 g/mol
LogP4.69
Rot. Bonds6

About 1-benzyl-N-[(2,5-dimethylfuran-3-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide

1-benzyl-N-[(2,5-dimethylfuran-3-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide (PubChem CID 86950512) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is 1-benzyl-N-[(2,5-dimethylfuran-3-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(2,5-dimethylfuran-3-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide
PubChem CID86950512
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name1-benzyl-N-[(2,5-dimethylfuran-3-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide
SMILESCc1cc(CNC(=O)C2CCC(=O)N(Cc3ccccc3)C2c2ccccc2)c(C)o1
InChIInChI=1S/C26H28N2O3/c1-18-15-22(19(2)31-18)16-27-26(30)23-13-14-24(29)28(17-20-9-5-3-6-10-20)25(23)21-11-7-4-8-12-21/h3-12,15,23,25H,13-14,16-17H2,1-2H3,(H,27,30)
InChIKeyAAWDXOIZYOOCTH-UHFFFAOYSA-N
XLogP4.69
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-N-[(2,5-dimethylfuran-3-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide 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

1-benzyl-N-[3-(methylamino)propyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 119429433
1-benzyl-6-oxo-2-phenyl-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide
CID 119509741
4-[(1-benzyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]butanoic acid
CID 119170729
(2S,3R)-1-benzyl-N-[2-(4-fluorophenyl)ethyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 95761596
1-benzyl-N-[(2-ethoxy-4-pyridinyl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 86847999
(2R,3R)-1-benzyl-N-[2-(1H-indol-3-yl)ethyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 101404404
(2R,3R)-1-benzyl-6-oxo-2-phenyl-N,N-di(propan-2-yl)piperidine-3-carboxamide
CID 101404403
1-benzyl-N-[4-(tert-butylcarbamoyl)phenyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 47060248
(5R,6R)-1-benzyl-5-(morpholine-4-carbonyl)-6-phenylpiperidin-2-one
CID 94582684
(2S,3S)-1-benzyl-6-oxo-2-(4-propan-2-ylphenyl)piperidine-3-carboxylic acid
CID 40800623
N-[(2,5-dimethylfuran-3-yl)methyl]cyclopropanecarboxamide
CID 90536003
1-benzyl-N-(1-cyclopentylpyrrolidin-3-yl)-6-oxo-2-phenylpiperidine-3-carboxamide
CID 86896722

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(2,5-dimethylfuran-3-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[(2,5-dimethylfuran-3-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide (CID 86950512) is 1-benzyl-N-[(2,5-dimethylfuran-3-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(2,5-dimethylfuran-3-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[(2,5-dimethylfuran-3-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide is Cc1cc(CNC(=O)C2CCC(=O)N(Cc3ccccc3)C2c2ccccc2)c(C)o1.
What is the InChIKey of 1-benzyl-N-[(2,5-dimethylfuran-3-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide?
The InChIKey is AAWDXOIZYOOCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-18-15-22(19(2)31-18)16-27-26(30)23-13-14-24(29)28(17-20-9-5-3-6-10-20)25(23)21-11-7-4-8-12-21/h3-12,15,23,25H,13-14,16-17H2,1-2H3,(H,27,30).
What are the key properties of 1-benzyl-N-[(2,5-dimethylfuran-3-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide?
1-benzyl-N-[(2,5-dimethylfuran-3-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide has a molecular weight of 416.52 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(2,5-dimethylfuran-3-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 86950512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).