2-acetamido-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide

C18H33N3O4 — CID 45241510

IUPAC2-acetamido-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCOCCN1CCC(CN(CC2CCCO2)C(=O)CNC(C)=O)CC1
InChIInChI=1S/C18H33N3O4/c1-15(22)19-12-18(23)21(14-17-4-3-10-25-17)13-16-5-7-20(8-6-16)9-11-24-2/h16-17H,3-14H2,1-2H3,(H,19,22)
InChIKeyVVYQEXHVCUNMJJ-UHFFFAOYSA-N
MW355.48 g/mol
LogP0.49
Rot. Bonds9

About 2-acetamido-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide

2-acetamido-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 45241510) has the molecular formula C18H33N3O4 and a molecular weight of 355.48 g/mol. Its IUPAC name is 2-acetamido-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-acetamido-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID45241510
Molecular FormulaC18H33N3O4
Molecular Weight355.48 g/mol
Exact Mass355.25
IUPAC Name2-acetamido-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCOCCN1CCC(CN(CC2CCCO2)C(=O)CNC(C)=O)CC1
InChIInChI=1S/C18H33N3O4/c1-15(22)19-12-18(23)21(14-17-4-3-10-25-17)13-16-5-7-20(8-6-16)9-11-24-2/h16-17H,3-14H2,1-2H3,(H,19,22)
InChIKeyVVYQEXHVCUNMJJ-UHFFFAOYSA-N
XLogP0.49
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-acetamido-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide (CID 45241510) is 2-acetamido-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-acetamido-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-acetamido-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide is COCCN1CCC(CN(CC2CCCO2)C(=O)CNC(C)=O)CC1.
What is the InChIKey of 2-acetamido-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is VVYQEXHVCUNMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O4/c1-15(22)19-12-18(23)21(14-17-4-3-10-25-17)13-16-5-7-20(8-6-16)9-11-24-2/h16-17H,3-14H2,1-2H3,(H,19,22).
What are the key properties of 2-acetamido-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide?
2-acetamido-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 355.48 g/mol, XLogP of 0.49, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 45241510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).