3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]oxy]-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one

C23H30N4O3 — CID 11441246

IUPAC3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]oxy]-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one
SMILESCC(C)Oc1ccc(N2CCC(Oc3cccnc3N3CCN(C)CC3)C2=O)cc1
InChIInChI=1S/C23H30N4O3/c1-17(2)29-19-8-6-18(7-9-19)27-12-10-21(23(27)28)30-20-5-4-11-24-22(20)26-15-13-25(3)14-16-26/h4-9,11,17,21H,10,12-16H2,1-3H3
InChIKeyLZOWSJVEVUPURA-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.80
Rot. Bonds6

About 3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]oxy]-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one

3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]oxy]-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one (PubChem CID 11441246) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]oxy]-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]oxy]-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one
PubChem CID11441246
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]oxy]-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one
SMILESCC(C)Oc1ccc(N2CCC(Oc3cccnc3N3CCN(C)CC3)C2=O)cc1
InChIInChI=1S/C23H30N4O3/c1-17(2)29-19-8-6-18(7-9-19)27-12-10-21(23(27)28)30-20-5-4-11-24-22(20)26-15-13-25(3)14-16-26/h4-9,11,17,21H,10,12-16H2,1-3H3
InChIKeyLZOWSJVEVUPURA-UHFFFAOYSA-N
XLogP2.80
TPSA58.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]oxy]-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one?
The IUPAC name of 3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]oxy]-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one (CID 11441246) is 3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]oxy]-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]oxy]-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]oxy]-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one is CC(C)Oc1ccc(N2CCC(Oc3cccnc3N3CCN(C)CC3)C2=O)cc1.
What is the InChIKey of 3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]oxy]-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one?
The InChIKey is LZOWSJVEVUPURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-17(2)29-19-8-6-18(7-9-19)27-12-10-21(23(27)28)30-20-5-4-11-24-22(20)26-15-13-25(3)14-16-26/h4-9,11,17,21H,10,12-16H2,1-3H3.
What are the key properties of 3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]oxy]-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one?
3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]oxy]-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one has a molecular weight of 410.52 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]oxy]-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 11441246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).