2-[2-(2-ethoxy-4-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide

C15H21N3O3 — CID 169113224

IUPAC2-[2-(2-ethoxy-4-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide
SMILESCCOc1cc(C2CCC(C)CN2C(=O)C(N)=O)ccn1
InChIInChI=1S/C15H21N3O3/c1-3-21-13-8-11(6-7-17-13)12-5-4-10(2)9-18(12)15(20)14(16)19/h6-8,10,12H,3-5,9H2,1-2H3,(H2,16,19)
InChIKeyFFIBBYMRAPCYOT-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.27
Rot. Bonds3

About 2-[2-(2-ethoxy-4-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide

2-[2-(2-ethoxy-4-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide (PubChem CID 169113224) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[2-(2-ethoxy-4-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[2-(2-ethoxy-4-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide
PubChem CID169113224
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-[2-(2-ethoxy-4-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide
SMILESCCOc1cc(C2CCC(C)CN2C(=O)C(N)=O)ccn1
InChIInChI=1S/C15H21N3O3/c1-3-21-13-8-11(6-7-17-13)12-5-4-10(2)9-18(12)15(20)14(16)19/h6-8,10,12H,3-5,9H2,1-2H3,(H2,16,19)
InChIKeyFFIBBYMRAPCYOT-UHFFFAOYSA-N
XLogP1.27
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[2-(2-ethoxy-4-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide?
The IUPAC name of 2-[2-(2-ethoxy-4-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide (CID 169113224) is 2-[2-(2-ethoxy-4-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[2-(2-ethoxy-4-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for 2-[2-(2-ethoxy-4-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide is CCOc1cc(C2CCC(C)CN2C(=O)C(N)=O)ccn1.
What is the InChIKey of 2-[2-(2-ethoxy-4-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide?
The InChIKey is FFIBBYMRAPCYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-3-21-13-8-11(6-7-17-13)12-5-4-10(2)9-18(12)15(20)14(16)19/h6-8,10,12H,3-5,9H2,1-2H3,(H2,16,19).
What are the key properties of 2-[2-(2-ethoxy-4-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide?
2-[2-(2-ethoxy-4-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide has a molecular weight of 291.35 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxy-4-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 169113224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).