N-ethyl-2-[2-(hydroxymethyl)piperidin-1-yl]-N-(2-methylprop-2-enyl)acetamide

C14H26N2O2 — CID 60684699

IUPACN-ethyl-2-[2-(hydroxymethyl)piperidin-1-yl]-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)CN1CCCCC1CO
InChIInChI=1S/C14H26N2O2/c1-4-15(9-12(2)3)14(18)10-16-8-6-5-7-13(16)11-17/h13,17H,2,4-11H2,1,3H3
InChIKeyVGUQHGAGXQPIGM-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.26
Rot. Bonds6

About N-ethyl-2-[2-(hydroxymethyl)piperidin-1-yl]-N-(2-methylprop-2-enyl)acetamide

N-ethyl-2-[2-(hydroxymethyl)piperidin-1-yl]-N-(2-methylprop-2-enyl)acetamide (PubChem CID 60684699) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-ethyl-2-[2-(hydroxymethyl)piperidin-1-yl]-N-(2-methylprop-2-enyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-[2-(hydroxymethyl)piperidin-1-yl]-N-(2-methylprop-2-enyl)acetamide
PubChem CID60684699
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-ethyl-2-[2-(hydroxymethyl)piperidin-1-yl]-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)CN1CCCCC1CO
InChIInChI=1S/C14H26N2O2/c1-4-15(9-12(2)3)14(18)10-16-8-6-5-7-13(16)11-17/h13,17H,2,4-11H2,1,3H3
InChIKeyVGUQHGAGXQPIGM-UHFFFAOYSA-N
XLogP1.26
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(hydroxymethyl)piperidin-1-yl]-N-(2-methylprop-2-enyl)acetamide?
The IUPAC name of N-ethyl-2-[2-(hydroxymethyl)piperidin-1-yl]-N-(2-methylprop-2-enyl)acetamide (CID 60684699) is N-ethyl-2-[2-(hydroxymethyl)piperidin-1-yl]-N-(2-methylprop-2-enyl)acetamide.
What is the SMILES notation for N-ethyl-2-[2-(hydroxymethyl)piperidin-1-yl]-N-(2-methylprop-2-enyl)acetamide?
The canonical SMILES for N-ethyl-2-[2-(hydroxymethyl)piperidin-1-yl]-N-(2-methylprop-2-enyl)acetamide is C=C(C)CN(CC)C(=O)CN1CCCCC1CO.
What is the InChIKey of N-ethyl-2-[2-(hydroxymethyl)piperidin-1-yl]-N-(2-methylprop-2-enyl)acetamide?
The InChIKey is VGUQHGAGXQPIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-4-15(9-12(2)3)14(18)10-16-8-6-5-7-13(16)11-17/h13,17H,2,4-11H2,1,3H3.
What are the key properties of N-ethyl-2-[2-(hydroxymethyl)piperidin-1-yl]-N-(2-methylprop-2-enyl)acetamide?
N-ethyl-2-[2-(hydroxymethyl)piperidin-1-yl]-N-(2-methylprop-2-enyl)acetamide has a molecular weight of 254.37 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(hydroxymethyl)piperidin-1-yl]-N-(2-methylprop-2-enyl)acetamide is sourced from PubChem (CID 60684699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).