(1R,5S)-3-(2,2-diphenylethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one

C21H24N2O — CID 74248597

IUPAC(1R,5S)-3-(2,2-diphenylethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
SMILESO=C1N[C@H]2CC[C@@H]1CN(CC(c1ccccc1)c1ccccc1)C2
InChIInChI=1S/C21H24N2O/c24-21-18-11-12-19(22-21)14-23(13-18)15-20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18-20H,11-15H2,(H,22,24)/t18-,19+/m1/s1
InChIKeyWMARTOBZLVOBKZ-MOPGFXCFSA-N
MW320.44 g/mol
LogP3.03
Rot. Bonds4

About (1R,5S)-3-(2,2-diphenylethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one

(1R,5S)-3-(2,2-diphenylethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one (PubChem CID 74248597) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is (1R,5S)-3-(2,2-diphenylethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one.

Molecular Properties

Compound Name(1R,5S)-3-(2,2-diphenylethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
PubChem CID74248597
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name(1R,5S)-3-(2,2-diphenylethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
SMILESO=C1N[C@H]2CC[C@@H]1CN(CC(c1ccccc1)c1ccccc1)C2
InChIInChI=1S/C21H24N2O/c24-21-18-11-12-19(22-21)14-23(13-18)15-20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18-20H,11-15H2,(H,22,24)/t18-,19+/m1/s1
InChIKeyWMARTOBZLVOBKZ-MOPGFXCFSA-N
XLogP3.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-(2,2-diphenylethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one?
The IUPAC name of (1R,5S)-3-(2,2-diphenylethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one (CID 74248597) is (1R,5S)-3-(2,2-diphenylethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one.
What is the SMILES notation for (1R,5S)-3-(2,2-diphenylethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one?
The canonical SMILES for (1R,5S)-3-(2,2-diphenylethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one is O=C1N[C@H]2CC[C@@H]1CN(CC(c1ccccc1)c1ccccc1)C2.
What is the InChIKey of (1R,5S)-3-(2,2-diphenylethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one?
The InChIKey is WMARTOBZLVOBKZ-MOPGFXCFSA-N. The full InChI is InChI=1S/C21H24N2O/c24-21-18-11-12-19(22-21)14-23(13-18)15-20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18-20H,11-15H2,(H,22,24)/t18-,19+/m1/s1.
What are the key properties of (1R,5S)-3-(2,2-diphenylethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one?
(1R,5S)-3-(2,2-diphenylethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one has a molecular weight of 320.44 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-(2,2-diphenylethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one is sourced from PubChem (CID 74248597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).