(5S)-1-benzoyl-5-benzyl-3-methyl-1,3-diazinan-4-one

C19H20N2O2 — CID 11738375

IUPAC(5S)-1-benzoyl-5-benzyl-3-methyl-1,3-diazinan-4-one
SMILESCN1CN(C(=O)c2ccccc2)C[C@H](Cc2ccccc2)C1=O
InChIInChI=1S/C19H20N2O2/c1-20-14-21(19(23)16-10-6-3-7-11-16)13-17(18(20)22)12-15-8-4-2-5-9-15/h2-11,17H,12-14H2,1H3/t17-/m0/s1
InChIKeyOXDYDYAQURUNOR-KRWDZBQOSA-N
MW308.38 g/mol
LogP2.42
Rot. Bonds3

About (5S)-1-benzoyl-5-benzyl-3-methyl-1,3-diazinan-4-one

(5S)-1-benzoyl-5-benzyl-3-methyl-1,3-diazinan-4-one (PubChem CID 11738375) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is (5S)-1-benzoyl-5-benzyl-3-methyl-1,3-diazinan-4-one.

Molecular Properties

Compound Name(5S)-1-benzoyl-5-benzyl-3-methyl-1,3-diazinan-4-one
PubChem CID11738375
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name(5S)-1-benzoyl-5-benzyl-3-methyl-1,3-diazinan-4-one
SMILESCN1CN(C(=O)c2ccccc2)C[C@H](Cc2ccccc2)C1=O
InChIInChI=1S/C19H20N2O2/c1-20-14-21(19(23)16-10-6-3-7-11-16)13-17(18(20)22)12-15-8-4-2-5-9-15/h2-11,17H,12-14H2,1H3/t17-/m0/s1
InChIKeyOXDYDYAQURUNOR-KRWDZBQOSA-N
XLogP2.42
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S,5S)-3,5-dibenzylpiperazin-1-yl]-phenylmethanone
CID 102468577
1-benzoyl-6-[[2-(2-methoxyphenyl)phenyl]methyl]-4-methyl-1,4-diazepan-5-one
CID 110229967
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
1-benzoyl-3-ethylpiperidin-4-one
CID 114508143
6-[(4-phenylphenyl)methyl]-4-prop-2-enyl-1-(pyridine-4-carbonyl)-1,4-diazepan-5-one
CID 110229860
(7S,9aR)-7-benzyl-2-(4-chlorobenzoyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 56852078
1-(3-methoxybenzoyl)-4-methyl-6-[(2-phenylphenyl)methyl]-1,4-diazepan-5-one
CID 110230214
(6R)-1-(3-methoxybenzoyl)-4-methyl-6-[(2-phenylphenyl)methyl]-1,4-diazepan-5-one
CID 92608542
3-benzyl-1-methylpyrrolidine-2,5-dione
CID 3064864
(2S,5R)-1-benzoyl-5-benzyl-2-tert-butyl-3-methylimidazolidin-4-one
CID 91703996
3-(4-benzoylpiperazin-1-yl)propanoic acid
CID 2050697
(4-benzyl-3-methylpiperazin-1-yl)-phenylmethanone
CID 10803751

Frequently Asked Questions

What is the IUPAC name of (5S)-1-benzoyl-5-benzyl-3-methyl-1,3-diazinan-4-one?
The IUPAC name of (5S)-1-benzoyl-5-benzyl-3-methyl-1,3-diazinan-4-one (CID 11738375) is (5S)-1-benzoyl-5-benzyl-3-methyl-1,3-diazinan-4-one.
What is the SMILES notation for (5S)-1-benzoyl-5-benzyl-3-methyl-1,3-diazinan-4-one?
The canonical SMILES for (5S)-1-benzoyl-5-benzyl-3-methyl-1,3-diazinan-4-one is CN1CN(C(=O)c2ccccc2)C[C@H](Cc2ccccc2)C1=O.
What is the InChIKey of (5S)-1-benzoyl-5-benzyl-3-methyl-1,3-diazinan-4-one?
The InChIKey is OXDYDYAQURUNOR-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-20-14-21(19(23)16-10-6-3-7-11-16)13-17(18(20)22)12-15-8-4-2-5-9-15/h2-11,17H,12-14H2,1H3/t17-/m0/s1.
What are the key properties of (5S)-1-benzoyl-5-benzyl-3-methyl-1,3-diazinan-4-one?
(5S)-1-benzoyl-5-benzyl-3-methyl-1,3-diazinan-4-one has a molecular weight of 308.38 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-benzoyl-5-benzyl-3-methyl-1,3-diazinan-4-one is sourced from PubChem (CID 11738375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).