5-[C-methyl-N-(3-piperidin-1-ylpropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione

C14H22N4O3 — CID 7461527

IUPAC5-[C-methyl-N-(3-piperidin-1-ylpropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione
SMILESC/C(=N\CCCN1CCCCC1)C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C14H22N4O3/c1-10(11-12(19)16-14(21)17-13(11)20)15-6-5-9-18-7-3-2-4-8-18/h11H,2-9H2,1H3,(H2,16,17,19,20,21)/b15-10+
InChIKeyLWKKYBCZNPSYLD-XNTDXEJSSA-N
MW294.35 g/mol
LogP0.31
Rot. Bonds5

About 5-[C-methyl-N-(3-piperidin-1-ylpropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione

5-[C-methyl-N-(3-piperidin-1-ylpropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione (PubChem CID 7461527) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 5-[C-methyl-N-(3-piperidin-1-ylpropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[C-methyl-N-(3-piperidin-1-ylpropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione
PubChem CID7461527
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name5-[C-methyl-N-(3-piperidin-1-ylpropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione
SMILESC/C(=N\CCCN1CCCCC1)C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C14H22N4O3/c1-10(11-12(19)16-14(21)17-13(11)20)15-6-5-9-18-7-3-2-4-8-18/h11H,2-9H2,1H3,(H2,16,17,19,20,21)/b15-10+
InChIKeyLWKKYBCZNPSYLD-XNTDXEJSSA-N
XLogP0.31
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(2-piperidin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7367811
5-[C-ethyl-N-(3-piperidin-1-ylpropyl)carbonimidoyl]-1-phenyl-1,3-diazinane-2,4,6-trione
CID 7474354
1,1,3,3-tetramethyl-2-(3-pyrrolidin-1-ylpropyl)guanidine
CID 100673310
N'-(3-pyrrolidin-1-ylpropyl)azepane-1-carboximidamide
CID 86779268
ethane;1-(3-nitrosopropyl)pyrrolidine
CID 142532162
1-(4-methoxyphenyl)-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7461769
N'-(3-pyrrolidin-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111034812
1-(3-methylsulfinylpropyl)pyrrolidine
CID 154648174
N-[3-(azepan-1-yl)propyl]ethanimine
CID 91533828
1-ethyl-2-(3-pyrrolidin-1-ylpropyl)guanidine
CID 62991555
1-hydroxy-2-(3-pyrrolidin-1-ylpropyl)guanidine
CID 62991903
acetic acid;1-nonylpiperidine
CID 175874764

Frequently Asked Questions

What is the IUPAC name of 5-[C-methyl-N-(3-piperidin-1-ylpropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[C-methyl-N-(3-piperidin-1-ylpropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione (CID 7461527) is 5-[C-methyl-N-(3-piperidin-1-ylpropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[C-methyl-N-(3-piperidin-1-ylpropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[C-methyl-N-(3-piperidin-1-ylpropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione is C/C(=N\CCCN1CCCCC1)C1C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-[C-methyl-N-(3-piperidin-1-ylpropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is LWKKYBCZNPSYLD-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-10(11-12(19)16-14(21)17-13(11)20)15-6-5-9-18-7-3-2-4-8-18/h11H,2-9H2,1H3,(H2,16,17,19,20,21)/b15-10+.
What are the key properties of 5-[C-methyl-N-(3-piperidin-1-ylpropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione?
5-[C-methyl-N-(3-piperidin-1-ylpropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 294.35 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[C-methyl-N-(3-piperidin-1-ylpropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7461527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).