4-(6-propan-2-yloxypyridine-3-carbonyl)-1-pyridin-2-ylpiperazin-2-one

C18H20N4O3 — CID 134160857

IUPAC4-(6-propan-2-yloxypyridine-3-carbonyl)-1-pyridin-2-ylpiperazin-2-one
SMILESCC(C)Oc1ccc(C(=O)N2CCN(c3ccccn3)C(=O)C2)cn1
InChIInChI=1S/C18H20N4O3/c1-13(2)25-16-7-6-14(11-20-16)18(24)21-9-10-22(17(23)12-21)15-5-3-4-8-19-15/h3-8,11,13H,9-10,12H2,1-2H3
InChIKeyKWUFMKGFZYTRJJ-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.75
Rot. Bonds4

About 4-(6-propan-2-yloxypyridine-3-carbonyl)-1-pyridin-2-ylpiperazin-2-one

4-(6-propan-2-yloxypyridine-3-carbonyl)-1-pyridin-2-ylpiperazin-2-one (PubChem CID 134160857) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 4-(6-propan-2-yloxypyridine-3-carbonyl)-1-pyridin-2-ylpiperazin-2-one.

Molecular Properties

Compound Name4-(6-propan-2-yloxypyridine-3-carbonyl)-1-pyridin-2-ylpiperazin-2-one
PubChem CID134160857
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name4-(6-propan-2-yloxypyridine-3-carbonyl)-1-pyridin-2-ylpiperazin-2-one
SMILESCC(C)Oc1ccc(C(=O)N2CCN(c3ccccn3)C(=O)C2)cn1
InChIInChI=1S/C18H20N4O3/c1-13(2)25-16-7-6-14(11-20-16)18(24)21-9-10-22(17(23)12-21)15-5-3-4-8-19-15/h3-8,11,13H,9-10,12H2,1-2H3
InChIKeyKWUFMKGFZYTRJJ-UHFFFAOYSA-N
XLogP1.75
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-hydroxypiperidin-1-yl)-(6-propan-2-yloxy-3-pyridinyl)methanone
CID 110890106
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone
CID 122279552
4-(2-ethyl-1,3-benzothiazole-6-carbonyl)-1-pyridin-2-ylpiperazin-2-one
CID 134161482
(6-phenyl-3-azabicyclo[4.1.0]heptan-3-yl)-(6-propan-2-yloxy-3-pyridinyl)methanone
CID 87055846
[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109154550
(2S)-6-(6-propan-2-yloxypyridine-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 129467007
[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone
CID 121162695
[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone
CID 55684944
[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone
CID 86936569
(6-methoxy-3-pyridinyl)-(4-propan-2-yl-1,4-diazepan-1-yl)methanone;(4-propan-2-yl-1,4-diazepan-1-yl)-pyridin-2-ylmethanone
CID 162132855
4-(6-aminopyridine-3-carbonyl)-1-(3-methoxyphenyl)piperazin-2-one
CID 70717844
[6-(oxolan-3-yloxy)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 91815187

Frequently Asked Questions

What is the IUPAC name of 4-(6-propan-2-yloxypyridine-3-carbonyl)-1-pyridin-2-ylpiperazin-2-one?
The IUPAC name of 4-(6-propan-2-yloxypyridine-3-carbonyl)-1-pyridin-2-ylpiperazin-2-one (CID 134160857) is 4-(6-propan-2-yloxypyridine-3-carbonyl)-1-pyridin-2-ylpiperazin-2-one.
What is the SMILES notation for 4-(6-propan-2-yloxypyridine-3-carbonyl)-1-pyridin-2-ylpiperazin-2-one?
The canonical SMILES for 4-(6-propan-2-yloxypyridine-3-carbonyl)-1-pyridin-2-ylpiperazin-2-one is CC(C)Oc1ccc(C(=O)N2CCN(c3ccccn3)C(=O)C2)cn1.
What is the InChIKey of 4-(6-propan-2-yloxypyridine-3-carbonyl)-1-pyridin-2-ylpiperazin-2-one?
The InChIKey is KWUFMKGFZYTRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-13(2)25-16-7-6-14(11-20-16)18(24)21-9-10-22(17(23)12-21)15-5-3-4-8-19-15/h3-8,11,13H,9-10,12H2,1-2H3.
What are the key properties of 4-(6-propan-2-yloxypyridine-3-carbonyl)-1-pyridin-2-ylpiperazin-2-one?
4-(6-propan-2-yloxypyridine-3-carbonyl)-1-pyridin-2-ylpiperazin-2-one has a molecular weight of 340.38 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-propan-2-yloxypyridine-3-carbonyl)-1-pyridin-2-ylpiperazin-2-one is sourced from PubChem (CID 134160857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).