1-benzyl-4-[(1S)-2-hydroxy-1-phenylethyl]-1,4-diazepan-5-one

C20H24N2O2 — CID 24761280

IUPAC1-benzyl-4-[(1S)-2-hydroxy-1-phenylethyl]-1,4-diazepan-5-one
SMILESO=C1CCN(Cc2ccccc2)CCN1[C@H](CO)c1ccccc1
InChIInChI=1S/C20H24N2O2/c23-16-19(18-9-5-2-6-10-18)22-14-13-21(12-11-20(22)24)15-17-7-3-1-4-8-17/h1-10,19,23H,11-16H2/t19-/m1/s1
InChIKeyWYLZFVYUTHLFFY-LJQANCHMSA-N
MW324.42 g/mol
LogP2.45
Rot. Bonds5

About 1-benzyl-4-[(1S)-2-hydroxy-1-phenylethyl]-1,4-diazepan-5-one

1-benzyl-4-[(1S)-2-hydroxy-1-phenylethyl]-1,4-diazepan-5-one (PubChem CID 24761280) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-benzyl-4-[(1S)-2-hydroxy-1-phenylethyl]-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-benzyl-4-[(1S)-2-hydroxy-1-phenylethyl]-1,4-diazepan-5-one
PubChem CID24761280
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-benzyl-4-[(1S)-2-hydroxy-1-phenylethyl]-1,4-diazepan-5-one
SMILESO=C1CCN(Cc2ccccc2)CCN1[C@H](CO)c1ccccc1
InChIInChI=1S/C20H24N2O2/c23-16-19(18-9-5-2-6-10-18)22-14-13-21(12-11-20(22)24)15-17-7-3-1-4-8-17/h1-10,19,23H,11-16H2/t19-/m1/s1
InChIKeyWYLZFVYUTHLFFY-LJQANCHMSA-N
XLogP2.45
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1S)-2-hydroxy-1-phenylethyl]-1-(pyridin-3-ylmethyl)-1,4-diazepan-5-one
CID 24761240
(2R)-2-[(4-benzylpiperazin-1-yl)methyl]-3-hydroxypropanoic acid
CID 175551667
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-[(1S)-2-hydroxy-1-phenylethyl]pyrrolidine-2,5-dione
CID 71354940
1-benzyl-4-[(1R)-1,2-diphenylethyl]piperazine
CID 71276997
(5S)-1-(2-hydroxy-1-phenylethyl)-5-methylpiperidin-2-one
CID 175215749
2-(4-benzylpiperazin-1-yl)-2-phenylethanamine
CID 18071222
1-(2-hydroxy-1-phenylethyl)imidazolidin-2-one
CID 112756247
(3R)-3-benzhydryl-1-benzylpiperidin-4-one
CID 86328824
1-[(1R)-2-hydroxy-1-phenylethyl]piperidine-2,6-dione
CID 107863789
3-(4-benzylpiperazin-1-yl)-1,1-diphenylpropan-2-one
CID 23436784
3-benzhydryl-1-benzylpiperidin-4-one;hydrochloride
CID 56668292

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(1S)-2-hydroxy-1-phenylethyl]-1,4-diazepan-5-one?
The IUPAC name of 1-benzyl-4-[(1S)-2-hydroxy-1-phenylethyl]-1,4-diazepan-5-one (CID 24761280) is 1-benzyl-4-[(1S)-2-hydroxy-1-phenylethyl]-1,4-diazepan-5-one.
What is the SMILES notation for 1-benzyl-4-[(1S)-2-hydroxy-1-phenylethyl]-1,4-diazepan-5-one?
The canonical SMILES for 1-benzyl-4-[(1S)-2-hydroxy-1-phenylethyl]-1,4-diazepan-5-one is O=C1CCN(Cc2ccccc2)CCN1[C@H](CO)c1ccccc1.
What is the InChIKey of 1-benzyl-4-[(1S)-2-hydroxy-1-phenylethyl]-1,4-diazepan-5-one?
The InChIKey is WYLZFVYUTHLFFY-LJQANCHMSA-N. The full InChI is InChI=1S/C20H24N2O2/c23-16-19(18-9-5-2-6-10-18)22-14-13-21(12-11-20(22)24)15-17-7-3-1-4-8-17/h1-10,19,23H,11-16H2/t19-/m1/s1.
What are the key properties of 1-benzyl-4-[(1S)-2-hydroxy-1-phenylethyl]-1,4-diazepan-5-one?
1-benzyl-4-[(1S)-2-hydroxy-1-phenylethyl]-1,4-diazepan-5-one has a molecular weight of 324.42 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(1S)-2-hydroxy-1-phenylethyl]-1,4-diazepan-5-one is sourced from PubChem (CID 24761280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).