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

C21H23NO3 — CID 25180442

IUPAC(2R)-2-[[(4S)-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-ICSRJNTNSA-N
MW337.42 g/mol
LogP3.01
Rot. Bonds4

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

(2R)-2-[[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]methyl]piperidin-4-one (PubChem CID 25180442) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is (2R)-2-[[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]methyl]piperidin-4-one.

Molecular Properties

Compound Name(2R)-2-[[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]methyl]piperidin-4-one
PubChem CID25180442
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name(2R)-2-[[(4S)-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-ICSRJNTNSA-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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]methyl]piperidin-4-one?
The IUPAC name of (2R)-2-[[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]methyl]piperidin-4-one (CID 25180442) is (2R)-2-[[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]methyl]piperidin-4-one.
What is the SMILES notation for (2R)-2-[[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]methyl]piperidin-4-one?
The canonical SMILES for (2R)-2-[[(4S)-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-[[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]methyl]piperidin-4-one?
The InChIKey is FRQTZVABQYJSHQ-ICSRJNTNSA-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-[[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]methyl]piperidin-4-one?
(2R)-2-[[(4S)-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-[[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]methyl]piperidin-4-one is sourced from PubChem (CID 25180442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).