N-[2-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-oxoethyl]acetamide

C13H24N2O3 — CID 136514651

IUPACN-[2-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCC(OC(C)(C)C)CC1
InChIInChI=1S/C13H24N2O3/c1-10(16)14-9-12(17)15-7-5-11(6-8-15)18-13(2,3)4/h11H,5-9H2,1-4H3,(H,14,16)
InChIKeyGSTUHQBSSWQXAS-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.93
Rot. Bonds3

About N-[2-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-oxoethyl]acetamide

N-[2-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-oxoethyl]acetamide (PubChem CID 136514651) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[2-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-oxoethyl]acetamide
PubChem CID136514651
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC NameN-[2-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCC(OC(C)(C)C)CC1
InChIInChI=1S/C13H24N2O3/c1-10(16)14-9-12(17)15-7-5-11(6-8-15)18-13(2,3)4/h11H,5-9H2,1-4H3,(H,14,16)
InChIKeyGSTUHQBSSWQXAS-UHFFFAOYSA-N
XLogP0.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-oxoethyl]acetamide (CID 136514651) is N-[2-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1CCC(OC(C)(C)C)CC1.
What is the InChIKey of N-[2-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is GSTUHQBSSWQXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10(16)14-9-12(17)15-7-5-11(6-8-15)18-13(2,3)4/h11H,5-9H2,1-4H3,(H,14,16).
What are the key properties of N-[2-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-oxoethyl]acetamide?
N-[2-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 256.35 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 136514651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).