2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-propan-2-ylacetamide

C17H27N3O3 — CID 27532517

IUPAC2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-propan-2-ylacetamide
SMILESCOc1cn(CC(=O)NC(C)C)c(CN2CCCCC2)cc1=O
InChIInChI=1S/C17H27N3O3/c1-13(2)18-17(22)12-20-11-16(23-3)15(21)9-14(20)10-19-7-5-4-6-8-19/h9,11,13H,4-8,10,12H2,1-3H3,(H,18,22)
InChIKeyYDMYFYVBHGTJFV-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.37
Rot. Bonds6

About 2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-propan-2-ylacetamide

2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-propan-2-ylacetamide (PubChem CID 27532517) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-propan-2-ylacetamide
PubChem CID27532517
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-propan-2-ylacetamide
SMILESCOc1cn(CC(=O)NC(C)C)c(CN2CCCCC2)cc1=O
InChIInChI=1S/C17H27N3O3/c1-13(2)18-17(22)12-20-11-16(23-3)15(21)9-14(20)10-19-7-5-4-6-8-19/h9,11,13H,4-8,10,12H2,1-3H3,(H,18,22)
InChIKeyYDMYFYVBHGTJFV-UHFFFAOYSA-N
XLogP1.37
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-propan-2-ylacetamide (CID 27532517) is 2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-propan-2-ylacetamide is COc1cn(CC(=O)NC(C)C)c(CN2CCCCC2)cc1=O.
What is the InChIKey of 2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-propan-2-ylacetamide?
The InChIKey is YDMYFYVBHGTJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-13(2)18-17(22)12-20-11-16(23-3)15(21)9-14(20)10-19-7-5-4-6-8-19/h9,11,13H,4-8,10,12H2,1-3H3,(H,18,22).
What are the key properties of 2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-propan-2-ylacetamide?
2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-propan-2-ylacetamide has a molecular weight of 321.42 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 27532517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).