(2R)-2-[[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]methyl]piperidin-4-one

C21H23NO3 — CID 25178106

IUPAC(2R)-2-[[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]methyl]piperidin-4-one
SMILESO=C1CCN[C@H](C[C@@H]2COC(c3ccccc3)(c3ccccc3)O2)C1
InChIInChI=1S/C21H23NO3/c23-19-11-12-22-18(13-19)14-20-15-24-21(25-20,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18,20,22H,11-15H2/t18-,20+/m0/s1
InChIKeyFRQTZVABQYJSHQ-AZUAARDMSA-N
MW337.42 g/mol
LogP3.01
Rot. Bonds4

About (2R)-2-[[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]methyl]piperidin-4-one

(2R)-2-[[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]methyl]piperidin-4-one (PubChem CID 25178106) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is (2R)-2-[[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]methyl]piperidin-4-one.

Molecular Properties

Compound Name(2R)-2-[[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]methyl]piperidin-4-one
PubChem CID25178106
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name(2R)-2-[[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]methyl]piperidin-4-one
SMILESO=C1CCN[C@H](C[C@@H]2COC(c3ccccc3)(c3ccccc3)O2)C1
InChIInChI=1S/C21H23NO3/c23-19-11-12-22-18(13-19)14-20-15-24-21(25-20,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18,20,22H,11-15H2/t18-,20+/m0/s1
InChIKeyFRQTZVABQYJSHQ-AZUAARDMSA-N
XLogP3.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]methyl]piperidin-4-one 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

(2R)-2-[[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]methyl]piperidin-4-one
CID 25180442
(2R)-1-benzyl-2-[[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]methyl]piperidin-4-one
CID 25180441
4-ethyl-2,2-diphenyl-1,3-dioxolane
CID 123665979
4-bromo-2,2-diphenyl-1,3-dioxolane
CID 175223631
(2R)-2-phenylpiperidin-4-one
CID 86319056
2-(2,6-dimethoxyphenoxy)-N-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]ethanamine
CID 11135150
[(1S)-1-(2,2-diphenyl-1,3-dioxolan-4-yl)ethyl]-trimethylazanium
CID 45266333
(4R)-4-[(1R)-1-fluoroprop-2-enyl]-2,2-diphenyl-1,3-dioxolane
CID 139148658
6-(dibenzylamino)azepan-4-one
CID 122416944
[(1S)-1-(2,2-diphenyl-1,3-dioxolan-4-yl)ethyl]-trimethylazanium iodide
CID 45266332
[2-(2-phenyl-4-propyl-1,3-dioxolan-2-yl)phenyl]methanol
CID 66788371
bis[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 70380577

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]methyl]piperidin-4-one?
The IUPAC name of (2R)-2-[[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]methyl]piperidin-4-one (CID 25178106) is (2R)-2-[[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]methyl]piperidin-4-one.
What is the SMILES notation for (2R)-2-[[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]methyl]piperidin-4-one?
The canonical SMILES for (2R)-2-[[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]methyl]piperidin-4-one is O=C1CCN[C@H](C[C@@H]2COC(c3ccccc3)(c3ccccc3)O2)C1.
What is the InChIKey of (2R)-2-[[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]methyl]piperidin-4-one?
The InChIKey is FRQTZVABQYJSHQ-AZUAARDMSA-N. The full InChI is InChI=1S/C21H23NO3/c23-19-11-12-22-18(13-19)14-20-15-24-21(25-20,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18,20,22H,11-15H2/t18-,20+/m0/s1.
What are the key properties of (2R)-2-[[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]methyl]piperidin-4-one?
(2R)-2-[[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]methyl]piperidin-4-one has a molecular weight of 337.42 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]methyl]piperidin-4-one is sourced from PubChem (CID 25178106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).