(5R)-4-(5-chloro-6-oxodiazinan-4-yl)-1-[(4-fluoro-2-methylcyclohexyl)methyl]-5-methylpiperazin-2-one

C17H28ClFN4O2 — CID 147782168

IUPAC(5R)-4-(5-chloro-6-oxodiazinan-4-yl)-1-[(4-fluoro-2-methylcyclohexyl)methyl]-5-methylpiperazin-2-one
SMILESCC1CC(F)CCC1CN1C[C@@H](C)N(C2CNNC(=O)C2Cl)CC1=O
InChIInChI=1S/C17H28ClFN4O2/c1-10-5-13(19)4-3-12(10)8-22-7-11(2)23(9-15(22)24)14-6-20-21-17(25)16(14)18/h10-14,16,20H,3-9H2,1-2H3,(H,21,25)/t10?,11-,12?,13?,14?,16?/m1/s1
InChIKeyGAIHQTAPRFPJPL-SDEKHGLNSA-N
MW374.89 g/mol
LogP0.90
Rot. Bonds3

About (5R)-4-(5-chloro-6-oxodiazinan-4-yl)-1-[(4-fluoro-2-methylcyclohexyl)methyl]-5-methylpiperazin-2-one

(5R)-4-(5-chloro-6-oxodiazinan-4-yl)-1-[(4-fluoro-2-methylcyclohexyl)methyl]-5-methylpiperazin-2-one (PubChem CID 147782168) has the molecular formula C17H28ClFN4O2 and a molecular weight of 374.89 g/mol. Its IUPAC name is (5R)-4-(5-chloro-6-oxodiazinan-4-yl)-1-[(4-fluoro-2-methylcyclohexyl)methyl]-5-methylpiperazin-2-one.

Molecular Properties

Compound Name(5R)-4-(5-chloro-6-oxodiazinan-4-yl)-1-[(4-fluoro-2-methylcyclohexyl)methyl]-5-methylpiperazin-2-one
PubChem CID147782168
Molecular FormulaC17H28ClFN4O2
Molecular Weight374.89 g/mol
Exact Mass374.19
IUPAC Name(5R)-4-(5-chloro-6-oxodiazinan-4-yl)-1-[(4-fluoro-2-methylcyclohexyl)methyl]-5-methylpiperazin-2-one
SMILESCC1CC(F)CCC1CN1C[C@@H](C)N(C2CNNC(=O)C2Cl)CC1=O
InChIInChI=1S/C17H28ClFN4O2/c1-10-5-13(19)4-3-12(10)8-22-7-11(2)23(9-15(22)24)14-6-20-21-17(25)16(14)18/h10-14,16,20H,3-9H2,1-2H3,(H,21,25)/t10?,11-,12?,13?,14?,16?/m1/s1
InChIKeyGAIHQTAPRFPJPL-SDEKHGLNSA-N
XLogP0.90
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5R)-4-(5-chloro-6-oxodiazinan-4-yl)-1-[(4-fluoro-2-methylcyclohexyl)methyl]-5-methylpiperazin-2-one with MolForge

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Launch Full Analysis

Related Compounds

4-chloro-5-[4-[(4-fluoro-2-methylcyclohexyl)methyl]piperazin-1-yl]diazinan-3-one
CID 168818777
4-(5-chloro-6-oxodiazinan-4-yl)-1-[[5-fluoro-2-(trifluoromethyl)cyclohexyl]methyl]piperazin-2-one
CID 149138839
4-(5-chloro-6-oxodiazinan-4-yl)-1-[(2-cyclohexylcyclohexyl)methyl]piperazin-2-one
CID 168818865
4-(5-cyclohexyloxy-6-oxodiazinan-4-yl)-1-[(2-methylcyclohexyl)methyl]piperazin-2-one
CID 168818767
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
1-[(2-methylcyclohexyl)methyl]-4-(5-morpholin-4-yl-6-oxodiazinan-4-yl)piperazin-2-one
CID 168818618
4-chloro-1-[5-[[(3R)-4-(5-chloro-6-oxodiazinan-4-yl)-3-methylpiperazin-1-yl]methyl]-6-ethylpiperidin-2-yl]-5-[(2R)-2-methyl-4-[(2-methylpiperidin-3-yl)methyl]piperazin-1-yl]diazinan-3-one
CID 138483997
4-[5-(3,6-dihydro-2H-pyran-4-yl)-6-oxodiazinan-4-yl]-1-[(2-methylcyclohexyl)methyl]piperazin-2-one
CID 168818630
4-chloro-5-[4-[(1S)-1-(2-methylcyclohexyl)ethyl]piperazin-1-yl]diazinan-3-one
CID 168818910
1-ethyl-4,5-dimethylpiperazin-2-one
CID 156824665
1-(5-chloro-3-methylpiperidin-2-yl)-4-[(4-fluorocyclohexyl)methyl]-3-(oxetan-3-yl)piperazine-2,5-dione
CID 153473196
5-(4-benzyl-4-methylpiperazin-4-ium-1-yl)-4-chlorodiazinan-3-one
CID 73298769

Frequently Asked Questions

What is the IUPAC name of (5R)-4-(5-chloro-6-oxodiazinan-4-yl)-1-[(4-fluoro-2-methylcyclohexyl)methyl]-5-methylpiperazin-2-one?
The IUPAC name of (5R)-4-(5-chloro-6-oxodiazinan-4-yl)-1-[(4-fluoro-2-methylcyclohexyl)methyl]-5-methylpiperazin-2-one (CID 147782168) is (5R)-4-(5-chloro-6-oxodiazinan-4-yl)-1-[(4-fluoro-2-methylcyclohexyl)methyl]-5-methylpiperazin-2-one.
What is the SMILES notation for (5R)-4-(5-chloro-6-oxodiazinan-4-yl)-1-[(4-fluoro-2-methylcyclohexyl)methyl]-5-methylpiperazin-2-one?
The canonical SMILES for (5R)-4-(5-chloro-6-oxodiazinan-4-yl)-1-[(4-fluoro-2-methylcyclohexyl)methyl]-5-methylpiperazin-2-one is CC1CC(F)CCC1CN1C[C@@H](C)N(C2CNNC(=O)C2Cl)CC1=O.
What is the InChIKey of (5R)-4-(5-chloro-6-oxodiazinan-4-yl)-1-[(4-fluoro-2-methylcyclohexyl)methyl]-5-methylpiperazin-2-one?
The InChIKey is GAIHQTAPRFPJPL-SDEKHGLNSA-N. The full InChI is InChI=1S/C17H28ClFN4O2/c1-10-5-13(19)4-3-12(10)8-22-7-11(2)23(9-15(22)24)14-6-20-21-17(25)16(14)18/h10-14,16,20H,3-9H2,1-2H3,(H,21,25)/t10?,11-,12?,13?,14?,16?/m1/s1.
What are the key properties of (5R)-4-(5-chloro-6-oxodiazinan-4-yl)-1-[(4-fluoro-2-methylcyclohexyl)methyl]-5-methylpiperazin-2-one?
(5R)-4-(5-chloro-6-oxodiazinan-4-yl)-1-[(4-fluoro-2-methylcyclohexyl)methyl]-5-methylpiperazin-2-one has a molecular weight of 374.89 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-(5-chloro-6-oxodiazinan-4-yl)-1-[(4-fluoro-2-methylcyclohexyl)methyl]-5-methylpiperazin-2-one is sourced from PubChem (CID 147782168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).