5-[C-ethyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

C16H26N4O3 — CID 7364535

IUPAC5-[C-ethyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCC/C(=N\CCN1CCCCC1)C1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C16H26N4O3/c1-4-12(17-8-11-20-9-6-5-7-10-20)13-14(21)18(2)16(23)19(3)15(13)22/h13H,4-11H2,1-3H3/b17-12+
InChIKeyFXWRIOXGAWINLF-SFQUDFHCSA-N
MW322.41 g/mol
LogP0.99
Rot. Bonds5

About 5-[C-ethyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

5-[C-ethyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 7364535) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 5-[C-ethyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[C-ethyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID7364535
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name5-[C-ethyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCC/C(=N\CCN1CCCCC1)C1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C16H26N4O3/c1-4-12(17-8-11-20-9-6-5-7-10-20)13-14(21)18(2)16(23)19(3)15(13)22/h13H,4-11H2,1-3H3/b17-12+
InChIKeyFXWRIOXGAWINLF-SFQUDFHCSA-N
XLogP0.99
TPSA73.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-[N-[(2R)-5-(diethylamino)pentan-2-yl]-C-methylcarbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7048852
5-[N-[(2S)-5-(diethylamino)pentan-2-yl]-C-methylcarbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7048854
Diethyl-[2-[1-(2,4,6-trioxo-1,3-diazinan-5-yl)propylideneamino]ethyl]azanium
CID 7252758
5-[N-[2-(diethylamino)ethyl]-C-ethylcarbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7252759
1,3-Dimethyl-5-(2-piperidin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7336034
5-[C-ethyl-N-(2-piperidin-1-ium-1-ylethyl)carbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7364534
5-[N-[(2S)-5-(diethylamino)pentan-2-yl]-C-ethylcarbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7365686
5-[N-[(2R)-5-(diethylamino)pentan-2-yl]-C-ethylcarbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7365690
5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7365884
2-[1-(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)propylideneamino]ethyl-dimethylazanium
CID 7369450
5-[N-[2-(dimethylamino)ethyl]-C-ethylcarbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7369451
5-[C-ethyl-N-(2-piperidin-1-ium-1-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7461332

Frequently Asked Questions

What is the IUPAC name of 5-[C-ethyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[C-ethyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (CID 7364535) is 5-[C-ethyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[C-ethyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[C-ethyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is CC/C(=N\CCN1CCCCC1)C1C(=O)N(C)C(=O)N(C)C1=O.
What is the InChIKey of 5-[C-ethyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is FXWRIOXGAWINLF-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-4-12(17-8-11-20-9-6-5-7-10-20)13-14(21)18(2)16(23)19(3)15(13)22/h13H,4-11H2,1-3H3/b17-12+.
What are the key properties of 5-[C-ethyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
5-[C-ethyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 322.41 g/mol, XLogP of 0.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[C-ethyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7364535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).