6-(3,5-dimethylpiperidine-1-carbonyl)-2-propylpyridazin-3-one

C15H23N3O2 — CID 42910131

IUPAC6-(3,5-dimethylpiperidine-1-carbonyl)-2-propylpyridazin-3-one
SMILESCCCn1nc(C(=O)N2CC(C)CC(C)C2)ccc1=O
InChIInChI=1S/C15H23N3O2/c1-4-7-18-14(19)6-5-13(16-18)15(20)17-9-11(2)8-12(3)10-17/h5-6,11-12H,4,7-10H2,1-3H3
InChIKeyWGNKYFJOCWLVJY-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.77
Rot. Bonds3

About 6-(3,5-dimethylpiperidine-1-carbonyl)-2-propylpyridazin-3-one

6-(3,5-dimethylpiperidine-1-carbonyl)-2-propylpyridazin-3-one (PubChem CID 42910131) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 6-(3,5-dimethylpiperidine-1-carbonyl)-2-propylpyridazin-3-one.

Molecular Properties

Compound Name6-(3,5-dimethylpiperidine-1-carbonyl)-2-propylpyridazin-3-one
PubChem CID42910131
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name6-(3,5-dimethylpiperidine-1-carbonyl)-2-propylpyridazin-3-one
SMILESCCCn1nc(C(=O)N2CC(C)CC(C)C2)ccc1=O
InChIInChI=1S/C15H23N3O2/c1-4-7-18-14(19)6-5-13(16-18)15(20)17-9-11(2)8-12(3)10-17/h5-6,11-12H,4,7-10H2,1-3H3
InChIKeyWGNKYFJOCWLVJY-UHFFFAOYSA-N
XLogP1.77
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(3-methylbutyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 45827987
N-cyclopentyl-N-ethyl-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 52218181
N-cyclohexyl-N,1-dimethyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42443192
N,1-dimethyl-N-(2-methylcyclohexyl)-6-oxopyridazine-3-carboxamide
CID 45873658
N,N-bis(3-methylbutyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 52564125
6-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]-2-ethylpyridazin-3-one
CID 132360437
3-[(3R)-3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 35433902
3-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 35433907
3-[3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 45795256
2-Propyl-6-[3-(trifluoromethyl)piperidine-1-carbonyl]pyridazin-3-one
CID 45799636
2-(2-Methoxyethyl)-6-[3-(trifluoromethyl)piperidine-1-carbonyl]pyridazin-3-one
CID 45802524
2-methyl-6-(2-(trifluoromethyl)piperidine-1-carbonyl)pyridazin-3(2H)-one
CID 92092426

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpiperidine-1-carbonyl)-2-propylpyridazin-3-one?
The IUPAC name of 6-(3,5-dimethylpiperidine-1-carbonyl)-2-propylpyridazin-3-one (CID 42910131) is 6-(3,5-dimethylpiperidine-1-carbonyl)-2-propylpyridazin-3-one.
What is the SMILES notation for 6-(3,5-dimethylpiperidine-1-carbonyl)-2-propylpyridazin-3-one?
The canonical SMILES for 6-(3,5-dimethylpiperidine-1-carbonyl)-2-propylpyridazin-3-one is CCCn1nc(C(=O)N2CC(C)CC(C)C2)ccc1=O.
What is the InChIKey of 6-(3,5-dimethylpiperidine-1-carbonyl)-2-propylpyridazin-3-one?
The InChIKey is WGNKYFJOCWLVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-7-18-14(19)6-5-13(16-18)15(20)17-9-11(2)8-12(3)10-17/h5-6,11-12H,4,7-10H2,1-3H3.
What are the key properties of 6-(3,5-dimethylpiperidine-1-carbonyl)-2-propylpyridazin-3-one?
6-(3,5-dimethylpiperidine-1-carbonyl)-2-propylpyridazin-3-one has a molecular weight of 277.37 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpiperidine-1-carbonyl)-2-propylpyridazin-3-one is sourced from PubChem (CID 42910131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).