2-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-5-pyrrolidin-1-ylpyridazin-3-one

C19H27N5O3 — CID 72932979

IUPAC2-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-5-pyrrolidin-1-ylpyridazin-3-one
SMILESO=C(Cn1ncc(N2CCCC2)cc1=O)N1CCCC(N2CCCC2=O)C1
InChIInChI=1S/C19H27N5O3/c25-17-6-4-10-23(17)15-5-3-9-22(13-15)19(27)14-24-18(26)11-16(12-20-24)21-7-1-2-8-21/h11-12,15H,1-10,13-14H2
InChIKeyVSVXEWZVGGSQBM-UHFFFAOYSA-N
MW373.46 g/mol
LogP0.46
Rot. Bonds4

About 2-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-5-pyrrolidin-1-ylpyridazin-3-one

2-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-5-pyrrolidin-1-ylpyridazin-3-one (PubChem CID 72932979) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-5-pyrrolidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-5-pyrrolidin-1-ylpyridazin-3-one
PubChem CID72932979
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name2-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-5-pyrrolidin-1-ylpyridazin-3-one
SMILESO=C(Cn1ncc(N2CCCC2)cc1=O)N1CCCC(N2CCCC2=O)C1
InChIInChI=1S/C19H27N5O3/c25-17-6-4-10-23(17)15-5-3-9-22(13-15)19(27)14-24-18(26)11-16(12-20-24)21-7-1-2-8-21/h11-12,15H,1-10,13-14H2
InChIKeyVSVXEWZVGGSQBM-UHFFFAOYSA-N
XLogP0.46
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The IUPAC name of 2-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-5-pyrrolidin-1-ylpyridazin-3-one (CID 72932979) is 2-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-5-pyrrolidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-5-pyrrolidin-1-ylpyridazin-3-one is O=C(Cn1ncc(N2CCCC2)cc1=O)N1CCCC(N2CCCC2=O)C1.
What is the InChIKey of 2-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The InChIKey is VSVXEWZVGGSQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c25-17-6-4-10-23(17)15-5-3-9-22(13-15)19(27)14-24-18(26)11-16(12-20-24)21-7-1-2-8-21/h11-12,15H,1-10,13-14H2.
What are the key properties of 2-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-5-pyrrolidin-1-ylpyridazin-3-one?
2-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-5-pyrrolidin-1-ylpyridazin-3-one has a molecular weight of 373.46 g/mol, XLogP of 0.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]-5-pyrrolidin-1-ylpyridazin-3-one is sourced from PubChem (CID 72932979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).