5-[[2-(2-piperidin-1-ylpyrimidin-5-yl)imidazol-1-yl]methyl]pyrrolidin-2-one

C17H22N6O — CID 169421141

IUPAC5-[[2-(2-piperidin-1-ylpyrimidin-5-yl)imidazol-1-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCC(Cn2ccnc2-c2cnc(N3CCCCC3)nc2)N1
InChIInChI=1S/C17H22N6O/c24-15-5-4-14(21-15)12-23-9-6-18-16(23)13-10-19-17(20-11-13)22-7-2-1-3-8-22/h6,9-11,14H,1-5,7-8,12H2,(H,21,24)
InChIKeySICBITOFGOTOFN-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.61
Rot. Bonds4

About 5-[[2-(2-piperidin-1-ylpyrimidin-5-yl)imidazol-1-yl]methyl]pyrrolidin-2-one

5-[[2-(2-piperidin-1-ylpyrimidin-5-yl)imidazol-1-yl]methyl]pyrrolidin-2-one (PubChem CID 169421141) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-[[2-(2-piperidin-1-ylpyrimidin-5-yl)imidazol-1-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[2-(2-piperidin-1-ylpyrimidin-5-yl)imidazol-1-yl]methyl]pyrrolidin-2-one
PubChem CID169421141
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name5-[[2-(2-piperidin-1-ylpyrimidin-5-yl)imidazol-1-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCC(Cn2ccnc2-c2cnc(N3CCCCC3)nc2)N1
InChIInChI=1S/C17H22N6O/c24-15-5-4-14(21-15)12-23-9-6-18-16(23)13-10-19-17(20-11-13)22-7-2-1-3-8-22/h6,9-11,14H,1-5,7-8,12H2,(H,21,24)
InChIKeySICBITOFGOTOFN-UHFFFAOYSA-N
XLogP1.61
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-piperidin-1-ylpyrimidin-5-yl)imidazol-1-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[2-(2-piperidin-1-ylpyrimidin-5-yl)imidazol-1-yl]methyl]pyrrolidin-2-one (CID 169421141) is 5-[[2-(2-piperidin-1-ylpyrimidin-5-yl)imidazol-1-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[2-(2-piperidin-1-ylpyrimidin-5-yl)imidazol-1-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[2-(2-piperidin-1-ylpyrimidin-5-yl)imidazol-1-yl]methyl]pyrrolidin-2-one is O=C1CCC(Cn2ccnc2-c2cnc(N3CCCCC3)nc2)N1.
What is the InChIKey of 5-[[2-(2-piperidin-1-ylpyrimidin-5-yl)imidazol-1-yl]methyl]pyrrolidin-2-one?
The InChIKey is SICBITOFGOTOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c24-15-5-4-14(21-15)12-23-9-6-18-16(23)13-10-19-17(20-11-13)22-7-2-1-3-8-22/h6,9-11,14H,1-5,7-8,12H2,(H,21,24).
What are the key properties of 5-[[2-(2-piperidin-1-ylpyrimidin-5-yl)imidazol-1-yl]methyl]pyrrolidin-2-one?
5-[[2-(2-piperidin-1-ylpyrimidin-5-yl)imidazol-1-yl]methyl]pyrrolidin-2-one has a molecular weight of 326.40 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-piperidin-1-ylpyrimidin-5-yl)imidazol-1-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 169421141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).