6-phenyl-2-(4-phenylpiperazin-1-yl)-1,3-diazinan-4-one

C20H24N4O — CID 78248250

IUPAC6-phenyl-2-(4-phenylpiperazin-1-yl)-1,3-diazinan-4-one
SMILESO=C1CC(c2ccccc2)NC(N2CCN(c3ccccc3)CC2)N1
InChIInChI=1S/C20H24N4O/c25-19-15-18(16-7-3-1-4-8-16)21-20(22-19)24-13-11-23(12-14-24)17-9-5-2-6-10-17/h1-10,18,20-21H,11-15H2,(H,22,25)
InChIKeySTBMBKDADQYIMN-UHFFFAOYSA-N
MW336.44 g/mol
LogP1.94
Rot. Bonds3

About 6-phenyl-2-(4-phenylpiperazin-1-yl)-1,3-diazinan-4-one

6-phenyl-2-(4-phenylpiperazin-1-yl)-1,3-diazinan-4-one (PubChem CID 78248250) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 6-phenyl-2-(4-phenylpiperazin-1-yl)-1,3-diazinan-4-one.

Molecular Properties

Compound Name6-phenyl-2-(4-phenylpiperazin-1-yl)-1,3-diazinan-4-one
PubChem CID78248250
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name6-phenyl-2-(4-phenylpiperazin-1-yl)-1,3-diazinan-4-one
SMILESO=C1CC(c2ccccc2)NC(N2CCN(c3ccccc3)CC2)N1
InChIInChI=1S/C20H24N4O/c25-19-15-18(16-7-3-1-4-8-16)21-20(22-19)24-13-11-23(12-14-24)17-9-5-2-6-10-17/h1-10,18,20-21H,11-15H2,(H,22,25)
InChIKeySTBMBKDADQYIMN-UHFFFAOYSA-N
XLogP1.94
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-1,3-diazinan-4-one
CID 73369799
2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(4-methylphenyl)-1,3-diazinan-4-one
CID 73369312
2-(4-benzhydrylpiperazin-1-yl)-6-(4-fluorophenyl)-1,3-diazinan-4-one
CID 73369311
6-(2-methylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-diazinan-4-one
CID 73369318
3-phenyl-5-(4-phenylpiperazin-1-yl)pyrrolidin-2-one
CID 3021875
(2S,7S)-2,7-diphenyl-1,4-diazepan-5-one
CID 71351344
2,7-diphenyl-1,4-diazepan-5-one
CID 10264918
2-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(4-methoxyphenyl)-1,3-diazinan-4-one
CID 78697710
2-ethyl-6-phenyl-1,3-diazinan-4-one
CID 78214180
4-[4-(4-phenylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 140700977
(4S)-1,4-diphenylimidazolidin-2-one
CID 163207794
3-[(1-phenylpiperidin-4-yl)amino]piperidine-2,6-dione
CID 106820358

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-(4-phenylpiperazin-1-yl)-1,3-diazinan-4-one?
The IUPAC name of 6-phenyl-2-(4-phenylpiperazin-1-yl)-1,3-diazinan-4-one (CID 78248250) is 6-phenyl-2-(4-phenylpiperazin-1-yl)-1,3-diazinan-4-one.
What is the SMILES notation for 6-phenyl-2-(4-phenylpiperazin-1-yl)-1,3-diazinan-4-one?
The canonical SMILES for 6-phenyl-2-(4-phenylpiperazin-1-yl)-1,3-diazinan-4-one is O=C1CC(c2ccccc2)NC(N2CCN(c3ccccc3)CC2)N1.
What is the InChIKey of 6-phenyl-2-(4-phenylpiperazin-1-yl)-1,3-diazinan-4-one?
The InChIKey is STBMBKDADQYIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c25-19-15-18(16-7-3-1-4-8-16)21-20(22-19)24-13-11-23(12-14-24)17-9-5-2-6-10-17/h1-10,18,20-21H,11-15H2,(H,22,25).
What are the key properties of 6-phenyl-2-(4-phenylpiperazin-1-yl)-1,3-diazinan-4-one?
6-phenyl-2-(4-phenylpiperazin-1-yl)-1,3-diazinan-4-one has a molecular weight of 336.44 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-(4-phenylpiperazin-1-yl)-1,3-diazinan-4-one is sourced from PubChem (CID 78248250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).