N-(2-hydroxy-4-methylpentyl)-2-(2-oxopiperidin-1-yl)acetamide

C13H24N2O3 — CID 75427144

IUPACN-(2-hydroxy-4-methylpentyl)-2-(2-oxopiperidin-1-yl)acetamide
SMILESCC(C)CC(O)CNC(=O)CN1CCCCC1=O
InChIInChI=1S/C13H24N2O3/c1-10(2)7-11(16)8-14-12(17)9-15-6-4-3-5-13(15)18/h10-11,16H,3-9H2,1-2H3,(H,14,17)
InChIKeyGYSYYFGCNWEVOB-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.52
Rot. Bonds6

About N-(2-hydroxy-4-methylpentyl)-2-(2-oxopiperidin-1-yl)acetamide

N-(2-hydroxy-4-methylpentyl)-2-(2-oxopiperidin-1-yl)acetamide (PubChem CID 75427144) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylpentyl)-2-(2-oxopiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylpentyl)-2-(2-oxopiperidin-1-yl)acetamide
PubChem CID75427144
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC NameN-(2-hydroxy-4-methylpentyl)-2-(2-oxopiperidin-1-yl)acetamide
SMILESCC(C)CC(O)CNC(=O)CN1CCCCC1=O
InChIInChI=1S/C13H24N2O3/c1-10(2)7-11(16)8-14-12(17)9-15-6-4-3-5-13(15)18/h10-11,16H,3-9H2,1-2H3,(H,14,17)
InChIKeyGYSYYFGCNWEVOB-UHFFFAOYSA-N
XLogP0.52
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylpentyl)-2-(2-oxopiperidin-1-yl)acetamide?
The IUPAC name of N-(2-hydroxy-4-methylpentyl)-2-(2-oxopiperidin-1-yl)acetamide (CID 75427144) is N-(2-hydroxy-4-methylpentyl)-2-(2-oxopiperidin-1-yl)acetamide.
What is the SMILES notation for N-(2-hydroxy-4-methylpentyl)-2-(2-oxopiperidin-1-yl)acetamide?
The canonical SMILES for N-(2-hydroxy-4-methylpentyl)-2-(2-oxopiperidin-1-yl)acetamide is CC(C)CC(O)CNC(=O)CN1CCCCC1=O.
What is the InChIKey of N-(2-hydroxy-4-methylpentyl)-2-(2-oxopiperidin-1-yl)acetamide?
The InChIKey is GYSYYFGCNWEVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10(2)7-11(16)8-14-12(17)9-15-6-4-3-5-13(15)18/h10-11,16H,3-9H2,1-2H3,(H,14,17).
What are the key properties of N-(2-hydroxy-4-methylpentyl)-2-(2-oxopiperidin-1-yl)acetamide?
N-(2-hydroxy-4-methylpentyl)-2-(2-oxopiperidin-1-yl)acetamide has a molecular weight of 256.35 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylpentyl)-2-(2-oxopiperidin-1-yl)acetamide is sourced from PubChem (CID 75427144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).