3-(4-methylpiperidine-1-carbonyl)-1H-pyridazin-6-one

C11H15N3O2 — CID 945830

IUPAC3-(4-methylpiperidine-1-carbonyl)-1H-pyridazin-6-one
SMILESCC1CCN(C(=O)c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C11H15N3O2/c1-8-4-6-14(7-5-8)11(16)9-2-3-10(15)13-12-9/h2-3,8H,4-7H2,1H3,(H,13,15)
InChIKeyXSIITTWLROGCBM-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.64
Rot. Bonds1

About 3-(4-methylpiperidine-1-carbonyl)-1H-pyridazin-6-one

3-(4-methylpiperidine-1-carbonyl)-1H-pyridazin-6-one (PubChem CID 945830) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-(4-methylpiperidine-1-carbonyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-methylpiperidine-1-carbonyl)-1H-pyridazin-6-one
PubChem CID945830
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name3-(4-methylpiperidine-1-carbonyl)-1H-pyridazin-6-one
SMILESCC1CCN(C(=O)c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C11H15N3O2/c1-8-4-6-14(7-5-8)11(16)9-2-3-10(15)13-12-9/h2-3,8H,4-7H2,1H3,(H,13,15)
InChIKeyXSIITTWLROGCBM-UHFFFAOYSA-N
XLogP0.64
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidine-1-carbonyl)-1H-pyridazin-6-one?
The IUPAC name of 3-(4-methylpiperidine-1-carbonyl)-1H-pyridazin-6-one (CID 945830) is 3-(4-methylpiperidine-1-carbonyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-methylpiperidine-1-carbonyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-methylpiperidine-1-carbonyl)-1H-pyridazin-6-one is CC1CCN(C(=O)c2ccc(=O)[nH]n2)CC1.
What is the InChIKey of 3-(4-methylpiperidine-1-carbonyl)-1H-pyridazin-6-one?
The InChIKey is XSIITTWLROGCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-8-4-6-14(7-5-8)11(16)9-2-3-10(15)13-12-9/h2-3,8H,4-7H2,1H3,(H,13,15).
What are the key properties of 3-(4-methylpiperidine-1-carbonyl)-1H-pyridazin-6-one?
3-(4-methylpiperidine-1-carbonyl)-1H-pyridazin-6-one has a molecular weight of 221.26 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidine-1-carbonyl)-1H-pyridazin-6-one is sourced from PubChem (CID 945830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).