5-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-diazinane-2,4-dione

C13H23N3O2 — CID 114516917

IUPAC5-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-diazinane-2,4-dione
SMILESCC1CN(CCC2CCN(C)CC2)C(=O)NC1=O
InChIInChI=1S/C13H23N3O2/c1-10-9-16(13(18)14-12(10)17)8-5-11-3-6-15(2)7-4-11/h10-11H,3-9H2,1-2H3,(H,14,17,18)
InChIKeyODZLFRHNCQDUFY-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.91
Rot. Bonds3

About 5-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-diazinane-2,4-dione

5-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-diazinane-2,4-dione (PubChem CID 114516917) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 5-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-diazinane-2,4-dione
PubChem CID114516917
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name5-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-diazinane-2,4-dione
SMILESCC1CN(CCC2CCN(C)CC2)C(=O)NC1=O
InChIInChI=1S/C13H23N3O2/c1-10-9-16(13(18)14-12(10)17)8-5-11-3-6-15(2)7-4-11/h10-11H,3-9H2,1-2H3,(H,14,17,18)
InChIKeyODZLFRHNCQDUFY-UHFFFAOYSA-N
XLogP0.91
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-diazinane-2,4-dione with MolForge

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Related Compounds

1-(cyclopropylmethyl)-5-methyl-1,3-diazinane-2,4-dione
CID 77073664
1-but-3-ynyl-5-methyl-1,3-diazinane-2,4-dione
CID 77069594
1-but-3-enyl-5-methyl-1,3-diazinane-2,4-dione
CID 78176488
5-methyl-1-(2-methylsulfonylethyl)-1,3-diazinane-2,4-dione
CID 76886990
5-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]-1,3-diazinane-2,4-dione
CID 106433160
5-methyl-1-[(4-methylmorpholin-2-yl)methyl]-1,3-diazinane-2,4-dione
CID 79777205
5-fluoro-1-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-diazinane-2,4,6-trione
CID 114517133
1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-4-one
CID 114515872
3-butan-2-yl-1-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-2,5-dione
CID 114516865
2-ethyl-5-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]imidazolidin-4-one
CID 114517098
1-(2-cyclopentylethyl)-3-methylpiperazine-2,5-dione
CID 64964119
5-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]-2-propylimidazolidin-4-one
CID 114517126

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 5-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-diazinane-2,4-dione (CID 114516917) is 5-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-diazinane-2,4-dione is CC1CN(CCC2CCN(C)CC2)C(=O)NC1=O.
What is the InChIKey of 5-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-diazinane-2,4-dione?
The InChIKey is ODZLFRHNCQDUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-10-9-16(13(18)14-12(10)17)8-5-11-3-6-15(2)7-4-11/h10-11H,3-9H2,1-2H3,(H,14,17,18).
What are the key properties of 5-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-diazinane-2,4-dione?
5-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-diazinane-2,4-dione has a molecular weight of 253.35 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 114516917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).