4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one

C14H20N4O2 — CID 53203845

IUPAC4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one
SMILESO=C(C1CCCN(c2cn[nH]c(=O)c2)C1)N1CCCC1
InChIInChI=1S/C14H20N4O2/c19-13-8-12(9-15-16-13)18-7-3-4-11(10-18)14(20)17-5-1-2-6-17/h8-9,11H,1-7,10H2,(H,16,19)
InChIKeyQIMLFUGHHFSECC-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.61
Rot. Bonds2

About 4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one

4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one (PubChem CID 53203845) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one
PubChem CID53203845
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one
SMILESO=C(C1CCCN(c2cn[nH]c(=O)c2)C1)N1CCCC1
InChIInChI=1S/C14H20N4O2/c19-13-8-12(9-15-16-13)18-7-3-4-11(10-18)14(20)17-5-1-2-6-17/h8-9,11H,1-7,10H2,(H,16,19)
InChIKeyQIMLFUGHHFSECC-UHFFFAOYSA-N
XLogP0.61
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one (CID 53203845) is 4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one is O=C(C1CCCN(c2cn[nH]c(=O)c2)C1)N1CCCC1.
What is the InChIKey of 4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one?
The InChIKey is QIMLFUGHHFSECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c19-13-8-12(9-15-16-13)18-7-3-4-11(10-18)14(20)17-5-1-2-6-17/h8-9,11H,1-7,10H2,(H,16,19).
What are the key properties of 4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one?
4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one has a molecular weight of 276.34 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 53203845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).