N-formyl-2-(5-octyl-2,4,6-trioxo-1,3-diazinan-5-yl)-N-piperazin-1-ylacetamide

C19H31N5O5 — CID 57236706

IUPACN-formyl-2-(5-octyl-2,4,6-trioxo-1,3-diazinan-5-yl)-N-piperazin-1-ylacetamide
SMILESCCCCCCCCC1(CC(=O)N(C=O)N2CCNCC2)C(=O)NC(=O)NC1=O
InChIInChI=1S/C19H31N5O5/c1-2-3-4-5-6-7-8-19(16(27)21-18(29)22-17(19)28)13-15(26)24(14-25)23-11-9-20-10-12-23/h14,20H,2-13H2,1H3,(H2,21,22,27,28,29)
InChIKeyJASXVUFPGLCOEV-UHFFFAOYSA-N
MW409.49 g/mol
LogP0.28
Rot. Bonds11

About N-formyl-2-(5-octyl-2,4,6-trioxo-1,3-diazinan-5-yl)-N-piperazin-1-ylacetamide

N-formyl-2-(5-octyl-2,4,6-trioxo-1,3-diazinan-5-yl)-N-piperazin-1-ylacetamide (PubChem CID 57236706) has the molecular formula C19H31N5O5 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-formyl-2-(5-octyl-2,4,6-trioxo-1,3-diazinan-5-yl)-N-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-formyl-2-(5-octyl-2,4,6-trioxo-1,3-diazinan-5-yl)-N-piperazin-1-ylacetamide
PubChem CID57236706
Molecular FormulaC19H31N5O5
Molecular Weight409.49 g/mol
Exact Mass409.23
IUPAC NameN-formyl-2-(5-octyl-2,4,6-trioxo-1,3-diazinan-5-yl)-N-piperazin-1-ylacetamide
SMILESCCCCCCCCC1(CC(=O)N(C=O)N2CCNCC2)C(=O)NC(=O)NC1=O
InChIInChI=1S/C19H31N5O5/c1-2-3-4-5-6-7-8-19(16(27)21-18(29)22-17(19)28)13-15(26)24(14-25)23-11-9-20-10-12-23/h14,20H,2-13H2,1H3,(H2,21,22,27,28,29)
InChIKeyJASXVUFPGLCOEV-UHFFFAOYSA-N
XLogP0.28
TPSA127.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5,5-dihexyl-1,3-diazinane-2,4,6-trione
CID 15536734
ethyl 3-(5-octyl-2,4,6-trioxo-1,3-diazinan-5-yl)propanoate
CID 142170729
4-[2-(5-octyl-2,4,6-trioxo-1,3-diazinan-5-yl)piperazin-1-yl]benzoic acid
CID 54476658
1-piperazin-1-ylpentadecan-1-one
CID 126705881
4-[1-(5-octyl-2,4,6-trioxo-1,3-diazinan-5-yl)piperazin-2-yl]benzamide
CID 67622810
1-tridec-1-en-2-ylpiperazine
CID 142217059
4-[2-(5-octyl-2,4,6-trioxo-1,3-diazinan-5-yl)piperazin-1-yl]benzenesulfonic acid
CID 54224110
piperazine;tetradecanoic acid
CID 54603068
decanoic acid;piperidine
CID 173189306
azepane;dodecanoic acid
CID 173452223
dodecanoic acid;1-propan-2-ylpiperazine
CID 175450596
4-[1-(5-octyl-2,4,6-trioxo-1,3-diazinan-5-yl)piperazin-1-ium-1-yl]benzenecarboximidamide
CID 18408662

Frequently Asked Questions

What is the IUPAC name of N-formyl-2-(5-octyl-2,4,6-trioxo-1,3-diazinan-5-yl)-N-piperazin-1-ylacetamide?
The IUPAC name of N-formyl-2-(5-octyl-2,4,6-trioxo-1,3-diazinan-5-yl)-N-piperazin-1-ylacetamide (CID 57236706) is N-formyl-2-(5-octyl-2,4,6-trioxo-1,3-diazinan-5-yl)-N-piperazin-1-ylacetamide.
What is the SMILES notation for N-formyl-2-(5-octyl-2,4,6-trioxo-1,3-diazinan-5-yl)-N-piperazin-1-ylacetamide?
The canonical SMILES for N-formyl-2-(5-octyl-2,4,6-trioxo-1,3-diazinan-5-yl)-N-piperazin-1-ylacetamide is CCCCCCCCC1(CC(=O)N(C=O)N2CCNCC2)C(=O)NC(=O)NC1=O.
What is the InChIKey of N-formyl-2-(5-octyl-2,4,6-trioxo-1,3-diazinan-5-yl)-N-piperazin-1-ylacetamide?
The InChIKey is JASXVUFPGLCOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O5/c1-2-3-4-5-6-7-8-19(16(27)21-18(29)22-17(19)28)13-15(26)24(14-25)23-11-9-20-10-12-23/h14,20H,2-13H2,1H3,(H2,21,22,27,28,29).
What are the key properties of N-formyl-2-(5-octyl-2,4,6-trioxo-1,3-diazinan-5-yl)-N-piperazin-1-ylacetamide?
N-formyl-2-(5-octyl-2,4,6-trioxo-1,3-diazinan-5-yl)-N-piperazin-1-ylacetamide has a molecular weight of 409.49 g/mol, XLogP of 0.28, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-2-(5-octyl-2,4,6-trioxo-1,3-diazinan-5-yl)-N-piperazin-1-ylacetamide is sourced from PubChem (CID 57236706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).