N-[2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-2-oxoethyl]acetamide

C13H24N2O3 — CID 70786651

IUPACN-[2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-2-oxoethyl]acetamide
SMILESCCCC1(CO)CCCN(C(=O)CNC(C)=O)C1
InChIInChI=1S/C13H24N2O3/c1-3-5-13(10-16)6-4-7-15(9-13)12(18)8-14-11(2)17/h16H,3-10H2,1-2H3,(H,14,17)
InChIKeyPLJUIRBVGZGEKT-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.52
Rot. Bonds5

About N-[2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-2-oxoethyl]acetamide

N-[2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-2-oxoethyl]acetamide (PubChem CID 70786651) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-2-oxoethyl]acetamide
PubChem CID70786651
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC NameN-[2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-2-oxoethyl]acetamide
SMILESCCCC1(CO)CCCN(C(=O)CNC(C)=O)C1
InChIInChI=1S/C13H24N2O3/c1-3-5-13(10-16)6-4-7-15(9-13)12(18)8-14-11(2)17/h16H,3-10H2,1-2H3,(H,14,17)
InChIKeyPLJUIRBVGZGEKT-UHFFFAOYSA-N
XLogP0.52
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-2-oxoethyl]acetamide (CID 70786651) is N-[2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-2-oxoethyl]acetamide is CCCC1(CO)CCCN(C(=O)CNC(C)=O)C1.
What is the InChIKey of N-[2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is PLJUIRBVGZGEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-5-13(10-16)6-4-7-15(9-13)12(18)8-14-11(2)17/h16H,3-10H2,1-2H3,(H,14,17).
What are the key properties of N-[2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-2-oxoethyl]acetamide?
N-[2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 256.35 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 70786651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).