5-(4-methylpiperidin-1-yl)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one

C15H24N4O — CID 102819940

IUPAC5-(4-methylpiperidin-1-yl)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESCC1CCN(c2cnn(C[C@@H]3CCCN3)c(=O)c2)CC1
InChIInChI=1S/C15H24N4O/c1-12-4-7-18(8-5-12)14-9-15(20)19(17-10-14)11-13-3-2-6-16-13/h9-10,12-13,16H,2-8,11H2,1H3/t13-/m0/s1
InChIKeyJCCPCDIUBJVPKG-ZDUSSCGKSA-N
MW276.38 g/mol
LogP1.23
Rot. Bonds3

About 5-(4-methylpiperidin-1-yl)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one

5-(4-methylpiperidin-1-yl)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one (PubChem CID 102819940) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 5-(4-methylpiperidin-1-yl)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(4-methylpiperidin-1-yl)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one
PubChem CID102819940
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name5-(4-methylpiperidin-1-yl)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESCC1CCN(c2cnn(C[C@@H]3CCCN3)c(=O)c2)CC1
InChIInChI=1S/C15H24N4O/c1-12-4-7-18(8-5-12)14-9-15(20)19(17-10-14)11-13-3-2-6-16-13/h9-10,12-13,16H,2-8,11H2,1H3/t13-/m0/s1
InChIKeyJCCPCDIUBJVPKG-ZDUSSCGKSA-N
XLogP1.23
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperidin-1-yl)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one?
The IUPAC name of 5-(4-methylpiperidin-1-yl)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one (CID 102819940) is 5-(4-methylpiperidin-1-yl)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 5-(4-methylpiperidin-1-yl)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one?
The canonical SMILES for 5-(4-methylpiperidin-1-yl)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one is CC1CCN(c2cnn(C[C@@H]3CCCN3)c(=O)c2)CC1.
What is the InChIKey of 5-(4-methylpiperidin-1-yl)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one?
The InChIKey is JCCPCDIUBJVPKG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N4O/c1-12-4-7-18(8-5-12)14-9-15(20)19(17-10-14)11-13-3-2-6-16-13/h9-10,12-13,16H,2-8,11H2,1H3/t13-/m0/s1.
What are the key properties of 5-(4-methylpiperidin-1-yl)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one?
5-(4-methylpiperidin-1-yl)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one has a molecular weight of 276.38 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperidin-1-yl)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 102819940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).