2-(azepan-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide

C15H27N3O2 — CID 108507207

IUPAC2-(azepan-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide
SMILESCN1CCC(N(C)C(=O)C(=O)N2CCCCCC2)CC1
InChIInChI=1S/C15H27N3O2/c1-16-11-7-13(8-12-16)17(2)14(19)15(20)18-9-5-3-4-6-10-18/h13H,3-12H2,1-2H3
InChIKeyJBZAILXPZXUSNA-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.94
Rot. Bonds1

About 2-(azepan-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide

2-(azepan-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide (PubChem CID 108507207) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide
PubChem CID108507207
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name2-(azepan-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide
SMILESCN1CCC(N(C)C(=O)C(=O)N2CCCCCC2)CC1
InChIInChI=1S/C15H27N3O2/c1-16-11-7-13(8-12-16)17(2)14(19)15(20)18-9-5-3-4-6-10-18/h13H,3-12H2,1-2H3
InChIKeyJBZAILXPZXUSNA-UHFFFAOYSA-N
XLogP0.94
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide?
The IUPAC name of 2-(azepan-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide (CID 108507207) is 2-(azepan-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide is CN1CCC(N(C)C(=O)C(=O)N2CCCCCC2)CC1.
What is the InChIKey of 2-(azepan-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide?
The InChIKey is JBZAILXPZXUSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-16-11-7-13(8-12-16)17(2)14(19)15(20)18-9-5-3-4-6-10-18/h13H,3-12H2,1-2H3.
What are the key properties of 2-(azepan-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide?
2-(azepan-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide has a molecular weight of 281.40 g/mol, XLogP of 0.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide is sourced from PubChem (CID 108507207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).