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

C17H27N3O3 — CID 27636523

IUPAC2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-propylacetamide
SMILESCCCNC(=O)Cn1cc(OC)c(=O)cc1CN1CCCCC1
InChIInChI=1S/C17H27N3O3/c1-3-7-18-17(22)13-20-12-16(23-2)15(21)10-14(20)11-19-8-5-4-6-9-19/h10,12H,3-9,11,13H2,1-2H3,(H,18,22)
InChIKeyDDHIBXXGRAWTOF-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.37
Rot. Bonds7

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

2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-propylacetamide (PubChem CID 27636523) 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-propylacetamide.

Molecular Properties

Compound Name2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-propylacetamide
PubChem CID27636523
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-propylacetamide
SMILESCCCNC(=O)Cn1cc(OC)c(=O)cc1CN1CCCCC1
InChIInChI=1S/C17H27N3O3/c1-3-7-18-17(22)13-20-12-16(23-2)15(21)10-14(20)11-19-8-5-4-6-9-19/h10,12H,3-9,11,13H2,1-2H3,(H,18,22)
InChIKeyDDHIBXXGRAWTOF-UHFFFAOYSA-N
XLogP1.37
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
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-propylacetamide?
The IUPAC name of 2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-propylacetamide (CID 27636523) is 2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-propylacetamide.
What is the SMILES notation for 2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-propylacetamide?
The canonical SMILES for 2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-propylacetamide is CCCNC(=O)Cn1cc(OC)c(=O)cc1CN1CCCCC1.
What is the InChIKey of 2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-propylacetamide?
The InChIKey is DDHIBXXGRAWTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-3-7-18-17(22)13-20-12-16(23-2)15(21)10-14(20)11-19-8-5-4-6-9-19/h10,12H,3-9,11,13H2,1-2H3,(H,18,22).
What are the key properties of 2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-propylacetamide?
2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-propylacetamide has a molecular weight of 321.42 g/mol, XLogP of 1.37, 7 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-propylacetamide is sourced from PubChem (CID 27636523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).