N-[1-(3,5-dimethylpiperidin-1-yl)-3-(2-ethylpentoxy)-1-oxobutan-2-yl]-2-methylpropanamide

C22H42N2O3 — CID 164604988

IUPACN-[1-(3,5-dimethylpiperidin-1-yl)-3-(2-ethylpentoxy)-1-oxobutan-2-yl]-2-methylpropanamide
SMILESCCCC(CC)COC(C)C(NC(=O)C(C)C)C(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C22H42N2O3/c1-8-10-19(9-2)14-27-18(7)20(23-21(25)15(3)4)22(26)24-12-16(5)11-17(6)13-24/h15-20H,8-14H2,1-7H3,(H,23,25)
InChIKeyAXUJQJJKROKXPS-UHFFFAOYSA-N
MW382.59 g/mol
LogP3.86
Rot. Bonds10

About N-[1-(3,5-dimethylpiperidin-1-yl)-3-(2-ethylpentoxy)-1-oxobutan-2-yl]-2-methylpropanamide

N-[1-(3,5-dimethylpiperidin-1-yl)-3-(2-ethylpentoxy)-1-oxobutan-2-yl]-2-methylpropanamide (PubChem CID 164604988) has the molecular formula C22H42N2O3 and a molecular weight of 382.59 g/mol. Its IUPAC name is N-[1-(3,5-dimethylpiperidin-1-yl)-3-(2-ethylpentoxy)-1-oxobutan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethylpiperidin-1-yl)-3-(2-ethylpentoxy)-1-oxobutan-2-yl]-2-methylpropanamide
PubChem CID164604988
Molecular FormulaC22H42N2O3
Molecular Weight382.59 g/mol
Exact Mass382.32
IUPAC NameN-[1-(3,5-dimethylpiperidin-1-yl)-3-(2-ethylpentoxy)-1-oxobutan-2-yl]-2-methylpropanamide
SMILESCCCC(CC)COC(C)C(NC(=O)C(C)C)C(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C22H42N2O3/c1-8-10-19(9-2)14-27-18(7)20(23-21(25)15(3)4)22(26)24-12-16(5)11-17(6)13-24/h15-20H,8-14H2,1-7H3,(H,23,25)
InChIKeyAXUJQJJKROKXPS-UHFFFAOYSA-N
XLogP3.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.59
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylpiperidin-1-yl)-3-(2-ethylpentoxy)-1-oxobutan-2-yl]-2-methylpropanamide?
The IUPAC name of N-[1-(3,5-dimethylpiperidin-1-yl)-3-(2-ethylpentoxy)-1-oxobutan-2-yl]-2-methylpropanamide (CID 164604988) is N-[1-(3,5-dimethylpiperidin-1-yl)-3-(2-ethylpentoxy)-1-oxobutan-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-(3,5-dimethylpiperidin-1-yl)-3-(2-ethylpentoxy)-1-oxobutan-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-(3,5-dimethylpiperidin-1-yl)-3-(2-ethylpentoxy)-1-oxobutan-2-yl]-2-methylpropanamide is CCCC(CC)COC(C)C(NC(=O)C(C)C)C(=O)N1CC(C)CC(C)C1.
What is the InChIKey of N-[1-(3,5-dimethylpiperidin-1-yl)-3-(2-ethylpentoxy)-1-oxobutan-2-yl]-2-methylpropanamide?
The InChIKey is AXUJQJJKROKXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N2O3/c1-8-10-19(9-2)14-27-18(7)20(23-21(25)15(3)4)22(26)24-12-16(5)11-17(6)13-24/h15-20H,8-14H2,1-7H3,(H,23,25).
What are the key properties of N-[1-(3,5-dimethylpiperidin-1-yl)-3-(2-ethylpentoxy)-1-oxobutan-2-yl]-2-methylpropanamide?
N-[1-(3,5-dimethylpiperidin-1-yl)-3-(2-ethylpentoxy)-1-oxobutan-2-yl]-2-methylpropanamide has a molecular weight of 382.59 g/mol, XLogP of 3.86, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylpiperidin-1-yl)-3-(2-ethylpentoxy)-1-oxobutan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 164604988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).