6-[1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]oxy-2,3-dihydroisoindol-1-one

C19H22N4O2 — CID 135150420

IUPAC6-[1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]oxy-2,3-dihydroisoindol-1-one
SMILESCc1ncc(C)c(N2CCC(Oc3ccc4c(c3)C(=O)NC4)CC2)n1
InChIInChI=1S/C19H22N4O2/c1-12-10-20-13(2)22-18(12)23-7-5-15(6-8-23)25-16-4-3-14-11-21-19(24)17(14)9-16/h3-4,9-10,15H,5-8,11H2,1-2H3,(H,21,24)
InChIKeyMYCBGSFNUJQJFM-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.38
Rot. Bonds3

About 6-[1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]oxy-2,3-dihydroisoindol-1-one

6-[1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]oxy-2,3-dihydroisoindol-1-one (PubChem CID 135150420) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 6-[1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]oxy-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name6-[1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]oxy-2,3-dihydroisoindol-1-one
PubChem CID135150420
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name6-[1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]oxy-2,3-dihydroisoindol-1-one
SMILESCc1ncc(C)c(N2CCC(Oc3ccc4c(c3)C(=O)NC4)CC2)n1
InChIInChI=1S/C19H22N4O2/c1-12-10-20-13(2)22-18(12)23-7-5-15(6-8-23)25-16-4-3-14-11-21-19(24)17(14)9-16/h3-4,9-10,15H,5-8,11H2,1-2H3,(H,21,24)
InChIKeyMYCBGSFNUJQJFM-UHFFFAOYSA-N
XLogP2.38
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]oxy-2,3-dihydroisoindol-1-one?
The IUPAC name of 6-[1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]oxy-2,3-dihydroisoindol-1-one (CID 135150420) is 6-[1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]oxy-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 6-[1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]oxy-2,3-dihydroisoindol-1-one?
The canonical SMILES for 6-[1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]oxy-2,3-dihydroisoindol-1-one is Cc1ncc(C)c(N2CCC(Oc3ccc4c(c3)C(=O)NC4)CC2)n1.
What is the InChIKey of 6-[1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]oxy-2,3-dihydroisoindol-1-one?
The InChIKey is MYCBGSFNUJQJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-12-10-20-13(2)22-18(12)23-7-5-15(6-8-23)25-16-4-3-14-11-21-19(24)17(14)9-16/h3-4,9-10,15H,5-8,11H2,1-2H3,(H,21,24).
What are the key properties of 6-[1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]oxy-2,3-dihydroisoindol-1-one?
6-[1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]oxy-2,3-dihydroisoindol-1-one has a molecular weight of 338.41 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]oxy-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 135150420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).