N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide

C16H24N4O5 — CID 120888857

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
SMILESC=CCN1C(=O)C(=O)N(CC(=O)NCC2(COC)CCNCC2)C1=O
InChIInChI=1S/C16H24N4O5/c1-3-8-19-13(22)14(23)20(15(19)24)9-12(21)18-10-16(11-25-2)4-6-17-7-5-16/h3,17H,1,4-11H2,2H3,(H,18,21)
InChIKeyZYANMMNDSBEMSS-UHFFFAOYSA-N
MW352.39 g/mol
LogP-0.90
Rot. Bonds8

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide (PubChem CID 120888857) has the molecular formula C16H24N4O5 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
PubChem CID120888857
Molecular FormulaC16H24N4O5
Molecular Weight352.39 g/mol
Exact Mass352.17
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
SMILESC=CCN1C(=O)C(=O)N(CC(=O)NCC2(COC)CCNCC2)C1=O
InChIInChI=1S/C16H24N4O5/c1-3-8-19-13(22)14(23)20(15(19)24)9-12(21)18-10-16(11-25-2)4-6-17-7-5-16/h3,17H,1,4-11H2,2H3,(H,18,21)
InChIKeyZYANMMNDSBEMSS-UHFFFAOYSA-N
XLogP-0.90
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide (CID 120888857) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide is C=CCN1C(=O)C(=O)N(CC(=O)NCC2(COC)CCNCC2)C1=O.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide?
The InChIKey is ZYANMMNDSBEMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O5/c1-3-8-19-13(22)14(23)20(15(19)24)9-12(21)18-10-16(11-25-2)4-6-17-7-5-16/h3,17H,1,4-11H2,2H3,(H,18,21).
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide has a molecular weight of 352.39 g/mol, XLogP of -0.90, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 120888857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).