N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-prop-2-enoxyacetamide

C13H24N2O3 — CID 120891445

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-prop-2-enoxyacetamide
SMILESC=CCOCC(=O)NCC1(COC)CCNCC1
InChIInChI=1S/C13H24N2O3/c1-3-8-18-9-12(16)15-10-13(11-17-2)4-6-14-7-5-13/h3,14H,1,4-11H2,2H3,(H,15,16)
InChIKeyHCDLUQXRXYTFNE-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.32
Rot. Bonds8

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-prop-2-enoxyacetamide

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-prop-2-enoxyacetamide (PubChem CID 120891445) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-prop-2-enoxyacetamide.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-prop-2-enoxyacetamide
PubChem CID120891445
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-prop-2-enoxyacetamide
SMILESC=CCOCC(=O)NCC1(COC)CCNCC1
InChIInChI=1S/C13H24N2O3/c1-3-8-18-9-12(16)15-10-13(11-17-2)4-6-14-7-5-13/h3,14H,1,4-11H2,2H3,(H,15,16)
InChIKeyHCDLUQXRXYTFNE-UHFFFAOYSA-N
XLogP0.32
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-prop-2-enoxyacetamide?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-prop-2-enoxyacetamide (CID 120891445) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-prop-2-enoxyacetamide.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-prop-2-enoxyacetamide?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-prop-2-enoxyacetamide is C=CCOCC(=O)NCC1(COC)CCNCC1.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-prop-2-enoxyacetamide?
The InChIKey is HCDLUQXRXYTFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-8-18-9-12(16)15-10-13(11-17-2)4-6-14-7-5-13/h3,14H,1,4-11H2,2H3,(H,15,16).
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-prop-2-enoxyacetamide?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-prop-2-enoxyacetamide has a molecular weight of 256.35 g/mol, XLogP of 0.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-prop-2-enoxyacetamide is sourced from PubChem (CID 120891445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).