N-[1-(3-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide

C12H22N2O3 — CID 43415747

IUPACN-[1-(3-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide
SMILESCC(=O)NC(C(=O)N1CCCC(O)C1)C(C)C
InChIInChI=1S/C12H22N2O3/c1-8(2)11(13-9(3)15)12(17)14-6-4-5-10(16)7-14/h8,10-11,16H,4-7H2,1-3H3,(H,13,15)
InChIKeyCCMCJDVOKYPGQE-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.13
Rot. Bonds3

About N-[1-(3-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide

N-[1-(3-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide (PubChem CID 43415747) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is N-[1-(3-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-(3-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide
PubChem CID43415747
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC NameN-[1-(3-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide
SMILESCC(=O)NC(C(=O)N1CCCC(O)C1)C(C)C
InChIInChI=1S/C12H22N2O3/c1-8(2)11(13-9(3)15)12(17)14-6-4-5-10(16)7-14/h8,10-11,16H,4-7H2,1-3H3,(H,13,15)
InChIKeyCCMCJDVOKYPGQE-UHFFFAOYSA-N
XLogP0.13
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide?
The IUPAC name of N-[1-(3-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide (CID 43415747) is N-[1-(3-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide.
What is the SMILES notation for N-[1-(3-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide?
The canonical SMILES for N-[1-(3-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide is CC(=O)NC(C(=O)N1CCCC(O)C1)C(C)C.
What is the InChIKey of N-[1-(3-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide?
The InChIKey is CCMCJDVOKYPGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-8(2)11(13-9(3)15)12(17)14-6-4-5-10(16)7-14/h8,10-11,16H,4-7H2,1-3H3,(H,13,15).
What are the key properties of N-[1-(3-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide?
N-[1-(3-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide has a molecular weight of 242.32 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide is sourced from PubChem (CID 43415747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).