2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-N-(3-methylbutyl)acetamide

C13H26N2O2 — CID 129367087

IUPAC2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CN1CCC[C@@H](CO)C1
InChIInChI=1S/C13H26N2O2/c1-11(2)5-6-14-13(17)9-15-7-3-4-12(8-15)10-16/h11-12,16H,3-10H2,1-2H3,(H,14,17)/t12-/m1/s1
InChIKeyIUKZTYAGGXYDIJ-GFCCVEGCSA-N
MW242.36 g/mol
LogP0.85
Rot. Bonds6

About 2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-N-(3-methylbutyl)acetamide

2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-N-(3-methylbutyl)acetamide (PubChem CID 129367087) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-N-(3-methylbutyl)acetamide
PubChem CID129367087
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CN1CCC[C@@H](CO)C1
InChIInChI=1S/C13H26N2O2/c1-11(2)5-6-14-13(17)9-15-7-3-4-12(8-15)10-16/h11-12,16H,3-10H2,1-2H3,(H,14,17)/t12-/m1/s1
InChIKeyIUKZTYAGGXYDIJ-GFCCVEGCSA-N
XLogP0.85
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-N-(3-methylbutyl)acetamide (CID 129367087) is 2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)CN1CCC[C@@H](CO)C1.
What is the InChIKey of 2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-N-(3-methylbutyl)acetamide?
The InChIKey is IUKZTYAGGXYDIJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11(2)5-6-14-13(17)9-15-7-3-4-12(8-15)10-16/h11-12,16H,3-10H2,1-2H3,(H,14,17)/t12-/m1/s1.
What are the key properties of 2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-N-(3-methylbutyl)acetamide?
2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-N-(3-methylbutyl)acetamide has a molecular weight of 242.36 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 129367087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).