3-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1H-pyridazin-6-one

C12H17N3O2 — CID 947240

IUPAC3-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1H-pyridazin-6-one
SMILESC[C@H]1C[C@H](C)CN(C(=O)c2ccc(=O)[nH]n2)C1
InChIInChI=1S/C12H17N3O2/c1-8-5-9(2)7-15(6-8)12(17)10-3-4-11(16)14-13-10/h3-4,8-9H,5-7H2,1-2H3,(H,14,16)/t8-,9-/m0/s1
InChIKeyZZORWWHLOVFTGU-IUCAKERBSA-N
MW235.29 g/mol
LogP0.89
Rot. Bonds1

About 3-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1H-pyridazin-6-one

3-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1H-pyridazin-6-one (PubChem CID 947240) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1H-pyridazin-6-one
PubChem CID947240
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1H-pyridazin-6-one
SMILESC[C@H]1C[C@H](C)CN(C(=O)c2ccc(=O)[nH]n2)C1
InChIInChI=1S/C12H17N3O2/c1-8-5-9(2)7-15(6-8)12(17)10-3-4-11(16)14-13-10/h3-4,8-9H,5-7H2,1-2H3,(H,14,16)/t8-,9-/m0/s1
InChIKeyZZORWWHLOVFTGU-IUCAKERBSA-N
XLogP0.89
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1H-pyridazin-6-one (CID 947240) is 3-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1H-pyridazin-6-one is C[C@H]1C[C@H](C)CN(C(=O)c2ccc(=O)[nH]n2)C1.
What is the InChIKey of 3-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1H-pyridazin-6-one?
The InChIKey is ZZORWWHLOVFTGU-IUCAKERBSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-5-9(2)7-15(6-8)12(17)10-3-4-11(16)14-13-10/h3-4,8-9H,5-7H2,1-2H3,(H,14,16)/t8-,9-/m0/s1.
What are the key properties of 3-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1H-pyridazin-6-one?
3-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1H-pyridazin-6-one has a molecular weight of 235.29 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1H-pyridazin-6-one is sourced from PubChem (CID 947240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).