4-[5-(3,6-dihydro-2H-pyran-4-yl)-6-oxodiazinan-4-yl]-1-[(2-methylcyclohexyl)methyl]piperazin-2-one

C21H34N4O3 — CID 168818630

IUPAC4-[5-(3,6-dihydro-2H-pyran-4-yl)-6-oxodiazinan-4-yl]-1-[(2-methylcyclohexyl)methyl]piperazin-2-one
SMILESCC1CCCCC1CN1CCN(C2CNNC(=O)C2C2=CCOCC2)CC1=O
InChIInChI=1S/C21H34N4O3/c1-15-4-2-3-5-17(15)13-25-9-8-24(14-19(25)26)18-12-22-23-21(27)20(18)16-6-10-28-11-7-16/h6,15,17-18,20,22H,2-5,7-14H2,1H3,(H,23,27)
InChIKeyPWWFWUHBTJIHGX-UHFFFAOYSA-N
MW390.53 g/mol
LogP0.92
Rot. Bonds4

About 4-[5-(3,6-dihydro-2H-pyran-4-yl)-6-oxodiazinan-4-yl]-1-[(2-methylcyclohexyl)methyl]piperazin-2-one

4-[5-(3,6-dihydro-2H-pyran-4-yl)-6-oxodiazinan-4-yl]-1-[(2-methylcyclohexyl)methyl]piperazin-2-one (PubChem CID 168818630) has the molecular formula C21H34N4O3 and a molecular weight of 390.53 g/mol. Its IUPAC name is 4-[5-(3,6-dihydro-2H-pyran-4-yl)-6-oxodiazinan-4-yl]-1-[(2-methylcyclohexyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[5-(3,6-dihydro-2H-pyran-4-yl)-6-oxodiazinan-4-yl]-1-[(2-methylcyclohexyl)methyl]piperazin-2-one
PubChem CID168818630
Molecular FormulaC21H34N4O3
Molecular Weight390.53 g/mol
Exact Mass390.26
IUPAC Name4-[5-(3,6-dihydro-2H-pyran-4-yl)-6-oxodiazinan-4-yl]-1-[(2-methylcyclohexyl)methyl]piperazin-2-one
SMILESCC1CCCCC1CN1CCN(C2CNNC(=O)C2C2=CCOCC2)CC1=O
InChIInChI=1S/C21H34N4O3/c1-15-4-2-3-5-17(15)13-25-9-8-24(14-19(25)26)18-12-22-23-21(27)20(18)16-6-10-28-11-7-16/h6,15,17-18,20,22H,2-5,7-14H2,1H3,(H,23,27)
InChIKeyPWWFWUHBTJIHGX-UHFFFAOYSA-N
XLogP0.92
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-[5-(3,6-dihydro-2H-pyran-4-yl)-6-oxodiazinan-4-yl]-1-[(2-methylcyclohexyl)methyl]piperazin-2-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

1-[(2-methylcyclohexyl)methyl]-4-(5-morpholin-4-yl-6-oxodiazinan-4-yl)piperazin-2-one
CID 168818618
4-(5-cyclohexyloxy-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one
CID 168818767
4-(5-chloro-6-oxodiazinan-4-yl)-1-[(2-cyclohexylcyclohexyl)methyl]piperazin-2-one
CID 168818865
4-(5-chloro-6-oxodiazinan-4-yl)-1-[[5-fluoro-2-(trifluoromethyl)cyclohexyl]methyl]piperazin-2-one
CID 149138839
4-chloro-5-[1-[(2-methylcyclohexyl)methyl]-3,3a,4,6,7,7a-hexahydro-2H-imidazo[4,5-c]pyridin-5-yl]diazinan-3-one
CID 168818606
4-chloro-5-[4-[(1S)-1-(2-methylcyclohexyl)ethyl]piperazin-1-yl]diazinan-3-one
CID 168818910
2-[(2-methylcyclohexyl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79929325
(5R)-4-(5-chloro-6-oxodiazinan-4-yl)-1-[(4-fluoro-2-methylcyclohexyl)methyl]-5-methylpiperazin-2-one
CID 147782168
1-[(2-methylcyclopentyl)methyl]-1,3-diazinane-2,4-dione
CID 107421091
3-ethyl-1-[(2-methylcyclohexyl)methyl]piperazine-2,5-dione
CID 64967153
4-chloro-5-[4-[(4-fluoro-2-methylcyclohexyl)methyl]piperazin-1-yl]diazinan-3-one
CID 168818777
3-[(2-methylcyclohexyl)methyl]-5-propylimidazolidin-4-one
CID 83256567

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3,6-dihydro-2H-pyran-4-yl)-6-oxodiazinan-4-yl]-1-[(2-methylcyclohexyl)methyl]piperazin-2-one?
The IUPAC name of 4-[5-(3,6-dihydro-2H-pyran-4-yl)-6-oxodiazinan-4-yl]-1-[(2-methylcyclohexyl)methyl]piperazin-2-one (CID 168818630) is 4-[5-(3,6-dihydro-2H-pyran-4-yl)-6-oxodiazinan-4-yl]-1-[(2-methylcyclohexyl)methyl]piperazin-2-one.
What is the SMILES notation for 4-[5-(3,6-dihydro-2H-pyran-4-yl)-6-oxodiazinan-4-yl]-1-[(2-methylcyclohexyl)methyl]piperazin-2-one?
The canonical SMILES for 4-[5-(3,6-dihydro-2H-pyran-4-yl)-6-oxodiazinan-4-yl]-1-[(2-methylcyclohexyl)methyl]piperazin-2-one is CC1CCCCC1CN1CCN(C2CNNC(=O)C2C2=CCOCC2)CC1=O.
What is the InChIKey of 4-[5-(3,6-dihydro-2H-pyran-4-yl)-6-oxodiazinan-4-yl]-1-[(2-methylcyclohexyl)methyl]piperazin-2-one?
The InChIKey is PWWFWUHBTJIHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O3/c1-15-4-2-3-5-17(15)13-25-9-8-24(14-19(25)26)18-12-22-23-21(27)20(18)16-6-10-28-11-7-16/h6,15,17-18,20,22H,2-5,7-14H2,1H3,(H,23,27).
What are the key properties of 4-[5-(3,6-dihydro-2H-pyran-4-yl)-6-oxodiazinan-4-yl]-1-[(2-methylcyclohexyl)methyl]piperazin-2-one?
4-[5-(3,6-dihydro-2H-pyran-4-yl)-6-oxodiazinan-4-yl]-1-[(2-methylcyclohexyl)methyl]piperazin-2-one has a molecular weight of 390.53 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3,6-dihydro-2H-pyran-4-yl)-6-oxodiazinan-4-yl]-1-[(2-methylcyclohexyl)methyl]piperazin-2-one is sourced from PubChem (CID 168818630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).