5-piperidin-1-yl-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one

C14H22N4O — CID 102819932

IUPAC5-piperidin-1-yl-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESO=c1cc(N2CCCCC2)cnn1C[C@@H]1CCCN1
InChIInChI=1S/C14H22N4O/c19-14-9-13(17-7-2-1-3-8-17)10-16-18(14)11-12-5-4-6-15-12/h9-10,12,15H,1-8,11H2/t12-/m0/s1
InChIKeyRUIXCASRLVDGKU-LBPRGKRZSA-N
MW262.36 g/mol
LogP0.99
Rot. Bonds3

About 5-piperidin-1-yl-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one

5-piperidin-1-yl-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one (PubChem CID 102819932) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 5-piperidin-1-yl-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-piperidin-1-yl-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one
PubChem CID102819932
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name5-piperidin-1-yl-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESO=c1cc(N2CCCCC2)cnn1C[C@@H]1CCCN1
InChIInChI=1S/C14H22N4O/c19-14-9-13(17-7-2-1-3-8-17)10-16-18(14)11-12-5-4-6-15-12/h9-10,12,15H,1-8,11H2/t12-/m0/s1
InChIKeyRUIXCASRLVDGKU-LBPRGKRZSA-N
XLogP0.99
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-yl-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one?
The IUPAC name of 5-piperidin-1-yl-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one (CID 102819932) is 5-piperidin-1-yl-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 5-piperidin-1-yl-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one?
The canonical SMILES for 5-piperidin-1-yl-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one is O=c1cc(N2CCCCC2)cnn1C[C@@H]1CCCN1.
What is the InChIKey of 5-piperidin-1-yl-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one?
The InChIKey is RUIXCASRLVDGKU-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N4O/c19-14-9-13(17-7-2-1-3-8-17)10-16-18(14)11-12-5-4-6-15-12/h9-10,12,15H,1-8,11H2/t12-/m0/s1.
What are the key properties of 5-piperidin-1-yl-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one?
5-piperidin-1-yl-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one has a molecular weight of 262.36 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-yl-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 102819932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).