2-[3-(hydroxymethyl)-3-methylpiperidin-1-yl]-N-pentan-3-ylacetamide

C14H28N2O2 — CID 71844699

IUPAC2-[3-(hydroxymethyl)-3-methylpiperidin-1-yl]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CN1CCCC(C)(CO)C1
InChIInChI=1S/C14H28N2O2/c1-4-12(5-2)15-13(18)9-16-8-6-7-14(3,10-16)11-17/h12,17H,4-11H2,1-3H3,(H,15,18)
InChIKeyFOICFBOJFSSCDE-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.39
Rot. Bonds6

About 2-[3-(hydroxymethyl)-3-methylpiperidin-1-yl]-N-pentan-3-ylacetamide

2-[3-(hydroxymethyl)-3-methylpiperidin-1-yl]-N-pentan-3-ylacetamide (PubChem CID 71844699) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)-3-methylpiperidin-1-yl]-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)-3-methylpiperidin-1-yl]-N-pentan-3-ylacetamide
PubChem CID71844699
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-[3-(hydroxymethyl)-3-methylpiperidin-1-yl]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CN1CCCC(C)(CO)C1
InChIInChI=1S/C14H28N2O2/c1-4-12(5-2)15-13(18)9-16-8-6-7-14(3,10-16)11-17/h12,17H,4-11H2,1-3H3,(H,15,18)
InChIKeyFOICFBOJFSSCDE-UHFFFAOYSA-N
XLogP1.39
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)-3-methylpiperidin-1-yl]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[3-(hydroxymethyl)-3-methylpiperidin-1-yl]-N-pentan-3-ylacetamide (CID 71844699) is 2-[3-(hydroxymethyl)-3-methylpiperidin-1-yl]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[3-(hydroxymethyl)-3-methylpiperidin-1-yl]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[3-(hydroxymethyl)-3-methylpiperidin-1-yl]-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CN1CCCC(C)(CO)C1.
What is the InChIKey of 2-[3-(hydroxymethyl)-3-methylpiperidin-1-yl]-N-pentan-3-ylacetamide?
The InChIKey is FOICFBOJFSSCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-12(5-2)15-13(18)9-16-8-6-7-14(3,10-16)11-17/h12,17H,4-11H2,1-3H3,(H,15,18).
What are the key properties of 2-[3-(hydroxymethyl)-3-methylpiperidin-1-yl]-N-pentan-3-ylacetamide?
2-[3-(hydroxymethyl)-3-methylpiperidin-1-yl]-N-pentan-3-ylacetamide has a molecular weight of 256.39 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)-3-methylpiperidin-1-yl]-N-pentan-3-ylacetamide is sourced from PubChem (CID 71844699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).