4-[4-(4,6-dimethoxypyrimidin-2-yl)piperidin-1-yl]-4-oxo-N-propylbutanamide

C18H28N4O4 — CID 3291918

IUPAC4-[4-(4,6-dimethoxypyrimidin-2-yl)piperidin-1-yl]-4-oxo-N-propylbutanamide
SMILESCCCNC(=O)CCC(=O)N1CCC(c2nc(OC)cc(OC)n2)CC1
InChIInChI=1S/C18H28N4O4/c1-4-9-19-14(23)5-6-17(24)22-10-7-13(8-11-22)18-20-15(25-2)12-16(21-18)26-3/h12-13H,4-11H2,1-3H3,(H,19,23)
InChIKeyAPPPYIDNHAKBMV-UHFFFAOYSA-N
MW364.45 g/mol
LogP1.51
Rot. Bonds8

About 4-[4-(4,6-dimethoxypyrimidin-2-yl)piperidin-1-yl]-4-oxo-N-propylbutanamide

4-[4-(4,6-dimethoxypyrimidin-2-yl)piperidin-1-yl]-4-oxo-N-propylbutanamide (PubChem CID 3291918) has the molecular formula C18H28N4O4 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-[4-(4,6-dimethoxypyrimidin-2-yl)piperidin-1-yl]-4-oxo-N-propylbutanamide.

Molecular Properties

Compound Name4-[4-(4,6-dimethoxypyrimidin-2-yl)piperidin-1-yl]-4-oxo-N-propylbutanamide
PubChem CID3291918
Molecular FormulaC18H28N4O4
Molecular Weight364.45 g/mol
Exact Mass364.21
IUPAC Name4-[4-(4,6-dimethoxypyrimidin-2-yl)piperidin-1-yl]-4-oxo-N-propylbutanamide
SMILESCCCNC(=O)CCC(=O)N1CCC(c2nc(OC)cc(OC)n2)CC1
InChIInChI=1S/C18H28N4O4/c1-4-9-19-14(23)5-6-17(24)22-10-7-13(8-11-22)18-20-15(25-2)12-16(21-18)26-3/h12-13H,4-11H2,1-3H3,(H,19,23)
InChIKeyAPPPYIDNHAKBMV-UHFFFAOYSA-N
XLogP1.51
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4,6-dimethoxypyrimidin-2-yl)piperidin-1-yl]-4-oxo-N-propylbutanamide?
The IUPAC name of 4-[4-(4,6-dimethoxypyrimidin-2-yl)piperidin-1-yl]-4-oxo-N-propylbutanamide (CID 3291918) is 4-[4-(4,6-dimethoxypyrimidin-2-yl)piperidin-1-yl]-4-oxo-N-propylbutanamide.
What is the SMILES notation for 4-[4-(4,6-dimethoxypyrimidin-2-yl)piperidin-1-yl]-4-oxo-N-propylbutanamide?
The canonical SMILES for 4-[4-(4,6-dimethoxypyrimidin-2-yl)piperidin-1-yl]-4-oxo-N-propylbutanamide is CCCNC(=O)CCC(=O)N1CCC(c2nc(OC)cc(OC)n2)CC1.
What is the InChIKey of 4-[4-(4,6-dimethoxypyrimidin-2-yl)piperidin-1-yl]-4-oxo-N-propylbutanamide?
The InChIKey is APPPYIDNHAKBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O4/c1-4-9-19-14(23)5-6-17(24)22-10-7-13(8-11-22)18-20-15(25-2)12-16(21-18)26-3/h12-13H,4-11H2,1-3H3,(H,19,23).
What are the key properties of 4-[4-(4,6-dimethoxypyrimidin-2-yl)piperidin-1-yl]-4-oxo-N-propylbutanamide?
4-[4-(4,6-dimethoxypyrimidin-2-yl)piperidin-1-yl]-4-oxo-N-propylbutanamide has a molecular weight of 364.45 g/mol, XLogP of 1.51, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4,6-dimethoxypyrimidin-2-yl)piperidin-1-yl]-4-oxo-N-propylbutanamide is sourced from PubChem (CID 3291918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).