2-(4-benzhydrylpiperazin-1-yl)-6-propan-2-yl-1,3-diazinan-4-one

C24H32N4O — CID 78411599

IUPAC2-(4-benzhydrylpiperazin-1-yl)-6-propan-2-yl-1,3-diazinan-4-one
SMILESCC(C)C1CC(=O)NC(N2CCN(C(c3ccccc3)c3ccccc3)CC2)N1
InChIInChI=1S/C24H32N4O/c1-18(2)21-17-22(29)26-24(25-21)28-15-13-27(14-16-28)23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,18,21,23-25H,13-17H2,1-2H3,(H,26,29)
InChIKeyXMQRIFFVLHJMCC-UHFFFAOYSA-N
MW392.55 g/mol
LogP2.81
Rot. Bonds5

About 2-(4-benzhydrylpiperazin-1-yl)-6-propan-2-yl-1,3-diazinan-4-one

2-(4-benzhydrylpiperazin-1-yl)-6-propan-2-yl-1,3-diazinan-4-one (PubChem CID 78411599) has the molecular formula C24H32N4O and a molecular weight of 392.55 g/mol. Its IUPAC name is 2-(4-benzhydrylpiperazin-1-yl)-6-propan-2-yl-1,3-diazinan-4-one.

Molecular Properties

Compound Name2-(4-benzhydrylpiperazin-1-yl)-6-propan-2-yl-1,3-diazinan-4-one
PubChem CID78411599
Molecular FormulaC24H32N4O
Molecular Weight392.55 g/mol
Exact Mass392.26
IUPAC Name2-(4-benzhydrylpiperazin-1-yl)-6-propan-2-yl-1,3-diazinan-4-one
SMILESCC(C)C1CC(=O)NC(N2CCN(C(c3ccccc3)c3ccccc3)CC2)N1
InChIInChI=1S/C24H32N4O/c1-18(2)21-17-22(29)26-24(25-21)28-15-13-27(14-16-28)23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,18,21,23-25H,13-17H2,1-2H3,(H,26,29)
InChIKeyXMQRIFFVLHJMCC-UHFFFAOYSA-N
XLogP2.81
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-benzhydrylpiperazin-1-yl)-6-propan-2-yl-1,3-diazinan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-benzhydrylpiperazin-1-yl)-6-(4-fluorophenyl)-1,3-diazinan-4-one
CID 73369311
1-benzhydryl-4-propan-2-ylpiperazine;2-methylpropane
CID 164924895
1-(4-benzhydrylpiperazin-1-yl)ethanamine
CID 68974612
1-benzhydryl-4-methylpiperazine
CID 6726
5-benzhydryl-1,2,5-triazepane-3,7-dione
CID 22769787
5-(4-benzhydrylpiperazin-1-yl)-1,5,6,7-tetrahydroindol-4-one
CID 3771400
6-(2-methylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-diazinan-4-one
CID 73369318
3-(4-benzhydrylpiperazin-1-yl)-4H-1,2,4-triazin-5-one
CID 135763966
3-(4-benzhydrylpiperazine-1-carbonyl)-1,4-thiazepan-5-one
CID 71798002
(5S)-3-[(4-benzhydrylpiperazin-1-yl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 9193268
3-(4-benzhydrylpiperazin-1-yl)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 2849630
bis(4-benzhydrylpiperazin-1-yl)methanone
CID 17170426

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-6-propan-2-yl-1,3-diazinan-4-one?
The IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-6-propan-2-yl-1,3-diazinan-4-one (CID 78411599) is 2-(4-benzhydrylpiperazin-1-yl)-6-propan-2-yl-1,3-diazinan-4-one.
What is the SMILES notation for 2-(4-benzhydrylpiperazin-1-yl)-6-propan-2-yl-1,3-diazinan-4-one?
The canonical SMILES for 2-(4-benzhydrylpiperazin-1-yl)-6-propan-2-yl-1,3-diazinan-4-one is CC(C)C1CC(=O)NC(N2CCN(C(c3ccccc3)c3ccccc3)CC2)N1.
What is the InChIKey of 2-(4-benzhydrylpiperazin-1-yl)-6-propan-2-yl-1,3-diazinan-4-one?
The InChIKey is XMQRIFFVLHJMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O/c1-18(2)21-17-22(29)26-24(25-21)28-15-13-27(14-16-28)23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,18,21,23-25H,13-17H2,1-2H3,(H,26,29).
What are the key properties of 2-(4-benzhydrylpiperazin-1-yl)-6-propan-2-yl-1,3-diazinan-4-one?
2-(4-benzhydrylpiperazin-1-yl)-6-propan-2-yl-1,3-diazinan-4-one has a molecular weight of 392.55 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzhydrylpiperazin-1-yl)-6-propan-2-yl-1,3-diazinan-4-one is sourced from PubChem (CID 78411599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).