2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one

C19H24N4O2 — CID 136881095

IUPAC2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
SMILESCC(C)(C)C(=O)N1CCC(c2nc(-c3ccccn3)cc(=O)[nH]2)CC1
InChIInChI=1S/C19H24N4O2/c1-19(2,3)18(25)23-10-7-13(8-11-23)17-21-15(12-16(24)22-17)14-6-4-5-9-20-14/h4-6,9,12-13H,7-8,10-11H2,1-3H3,(H,21,22,24)
InChIKeyJHXSLKLSYUCFRF-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.58
Rot. Bonds2

About 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one

2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one (PubChem CID 136881095) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
PubChem CID136881095
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
SMILESCC(C)(C)C(=O)N1CCC(c2nc(-c3ccccn3)cc(=O)[nH]2)CC1
InChIInChI=1S/C19H24N4O2/c1-19(2,3)18(25)23-10-7-13(8-11-23)17-21-15(12-16(24)22-17)14-6-4-5-9-20-14/h4-6,9,12-13H,7-8,10-11H2,1-3H3,(H,21,22,24)
InChIKeyJHXSLKLSYUCFRF-UHFFFAOYSA-N
XLogP2.58
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one (CID 136881095) is 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one is CC(C)(C)C(=O)N1CCC(c2nc(-c3ccccn3)cc(=O)[nH]2)CC1.
What is the InChIKey of 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one?
The InChIKey is JHXSLKLSYUCFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-19(2,3)18(25)23-10-7-13(8-11-23)17-21-15(12-16(24)22-17)14-6-4-5-9-20-14/h4-6,9,12-13H,7-8,10-11H2,1-3H3,(H,21,22,24).
What are the key properties of 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one?
2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one has a molecular weight of 340.43 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136881095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).