2-methyl-5-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyridazin-3-one

C15H22N4O2 — CID 53203983

IUPAC2-methyl-5-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyridazin-3-one
SMILESCn1ncc(N2CCCC(C(=O)N3CCCC3)C2)cc1=O
InChIInChI=1S/C15H22N4O2/c1-17-14(20)9-13(10-16-17)19-8-4-5-12(11-19)15(21)18-6-2-3-7-18/h9-10,12H,2-8,11H2,1H3
InChIKeyIMEZFQBPGJJMFS-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.62
Rot. Bonds2

About 2-methyl-5-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyridazin-3-one

2-methyl-5-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyridazin-3-one (PubChem CID 53203983) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-methyl-5-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-5-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyridazin-3-one
PubChem CID53203983
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-methyl-5-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyridazin-3-one
SMILESCn1ncc(N2CCCC(C(=O)N3CCCC3)C2)cc1=O
InChIInChI=1S/C15H22N4O2/c1-17-14(20)9-13(10-16-17)19-8-4-5-12(11-19)15(21)18-6-2-3-7-18/h9-10,12H,2-8,11H2,1H3
InChIKeyIMEZFQBPGJJMFS-UHFFFAOYSA-N
XLogP0.62
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyridazin-3-one?
The IUPAC name of 2-methyl-5-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyridazin-3-one (CID 53203983) is 2-methyl-5-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-5-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-methyl-5-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyridazin-3-one is Cn1ncc(N2CCCC(C(=O)N3CCCC3)C2)cc1=O.
What is the InChIKey of 2-methyl-5-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyridazin-3-one?
The InChIKey is IMEZFQBPGJJMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-17-14(20)9-13(10-16-17)19-8-4-5-12(11-19)15(21)18-6-2-3-7-18/h9-10,12H,2-8,11H2,1H3.
What are the key properties of 2-methyl-5-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyridazin-3-one?
2-methyl-5-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyridazin-3-one has a molecular weight of 290.37 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyridazin-3-one is sourced from PubChem (CID 53203983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).