1-[(1,4-dimethylpiperidin-4-yl)methyl]-5,5-dimethyl-1,3-diazinane-2,4,6-trione

C14H23N3O3 — CID 107165690

IUPAC1-[(1,4-dimethylpiperidin-4-yl)methyl]-5,5-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCN1CCC(C)(CN2C(=O)NC(=O)C(C)(C)C2=O)CC1
InChIInChI=1S/C14H23N3O3/c1-13(2)10(18)15-12(20)17(11(13)19)9-14(3)5-7-16(4)8-6-14/h5-9H2,1-4H3,(H,15,18,20)
InChIKeyYUKRXYUIYCIRCA-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.82
Rot. Bonds2

About 1-[(1,4-dimethylpiperidin-4-yl)methyl]-5,5-dimethyl-1,3-diazinane-2,4,6-trione

1-[(1,4-dimethylpiperidin-4-yl)methyl]-5,5-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 107165690) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[(1,4-dimethylpiperidin-4-yl)methyl]-5,5-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-[(1,4-dimethylpiperidin-4-yl)methyl]-5,5-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID107165690
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name1-[(1,4-dimethylpiperidin-4-yl)methyl]-5,5-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCN1CCC(C)(CN2C(=O)NC(=O)C(C)(C)C2=O)CC1
InChIInChI=1S/C14H23N3O3/c1-13(2)10(18)15-12(20)17(11(13)19)9-14(3)5-7-16(4)8-6-14/h5-9H2,1-4H3,(H,15,18,20)
InChIKeyYUKRXYUIYCIRCA-UHFFFAOYSA-N
XLogP0.82
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-[(1,4-dimethylpiperidin-4-yl)methyl]-5,5-dimethyl-1,3-diazinane-2,4,6-trione with MolForge

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Related Compounds

4-[(1,4-dimethylpiperidin-4-yl)methyl]-5-sulfanylidene-1,2,4-triazolidin-3-one
CID 107165248
5,5-dimethyl-1-(3,3,3-trifluoropropyl)-1,3-diazinane-2,4,6-trione
CID 112600572
5,5-dimethyl-1-(2-methylsulfonylethyl)-1,3-diazinane-2,4,6-trione
CID 112599608
1-[(4-ethylphenyl)methyl]-5,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 106901068
3-[(1,4-dimethylpiperidin-4-yl)methyl]-2,5-diethylimidazolidin-4-one
CID 107165674
3-[(1,4-dimethylpiperidin-4-yl)methyl]-5-ethyl-2-methylimidazolidin-4-one
CID 107165646
1-[(1,4-dimethylpiperidin-4-yl)methyl]-3,6-diethylpiperazine-2,5-dione
CID 107165375
1-hex-5-ynyl-5,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 106211117
3-[(1,4-dimethylpiperidin-4-yl)methyl]-5-ethyl-2-propan-2-ylimidazolidin-4-one
CID 107165629
1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(methylamino)piperidin-2-one
CID 107165265
1-[3-[(1,4-dimethylpiperidin-4-yl)methyl]imidazol-4-yl]-N-methylmethanamine
CID 107165436
N-butan-2-yl-3-(5,5-dimethyl-2,4,6-trioxo-1,3-diazinan-1-yl)propanamide
CID 115947616

Frequently Asked Questions

What is the IUPAC name of 1-[(1,4-dimethylpiperidin-4-yl)methyl]-5,5-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-[(1,4-dimethylpiperidin-4-yl)methyl]-5,5-dimethyl-1,3-diazinane-2,4,6-trione (CID 107165690) is 1-[(1,4-dimethylpiperidin-4-yl)methyl]-5,5-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-[(1,4-dimethylpiperidin-4-yl)methyl]-5,5-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-[(1,4-dimethylpiperidin-4-yl)methyl]-5,5-dimethyl-1,3-diazinane-2,4,6-trione is CN1CCC(C)(CN2C(=O)NC(=O)C(C)(C)C2=O)CC1.
What is the InChIKey of 1-[(1,4-dimethylpiperidin-4-yl)methyl]-5,5-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is YUKRXYUIYCIRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-13(2)10(18)15-12(20)17(11(13)19)9-14(3)5-7-16(4)8-6-14/h5-9H2,1-4H3,(H,15,18,20).
What are the key properties of 1-[(1,4-dimethylpiperidin-4-yl)methyl]-5,5-dimethyl-1,3-diazinane-2,4,6-trione?
1-[(1,4-dimethylpiperidin-4-yl)methyl]-5,5-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 281.36 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,4-dimethylpiperidin-4-yl)methyl]-5,5-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 107165690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).