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

C16H24N4O2 — CID 53202050

IUPAC4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one
SMILESCC1CCN(C(=O)C2CCN(c3cn[nH]c(=O)c3)CC2)CC1
InChIInChI=1S/C16H24N4O2/c1-12-2-6-20(7-3-12)16(22)13-4-8-19(9-5-13)14-10-15(21)18-17-11-14/h10-13H,2-9H2,1H3,(H,18,21)
InChIKeyPJESMGBEKJDJTO-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.24
Rot. Bonds2

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

4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one (PubChem CID 53202050) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one
PubChem CID53202050
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one
SMILESCC1CCN(C(=O)C2CCN(c3cn[nH]c(=O)c3)CC2)CC1
InChIInChI=1S/C16H24N4O2/c1-12-2-6-20(7-3-12)16(22)13-4-8-19(9-5-13)14-10-15(21)18-17-11-14/h10-13H,2-9H2,1H3,(H,18,21)
InChIKeyPJESMGBEKJDJTO-UHFFFAOYSA-N
XLogP1.24
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one (CID 53202050) is 4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one is CC1CCN(C(=O)C2CCN(c3cn[nH]c(=O)c3)CC2)CC1.
What is the InChIKey of 4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one?
The InChIKey is PJESMGBEKJDJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-12-2-6-20(7-3-12)16(22)13-4-8-19(9-5-13)14-10-15(21)18-17-11-14/h10-13H,2-9H2,1H3,(H,18,21).
What are the key properties of 4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one?
4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one has a molecular weight of 304.39 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 53202050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).