3-[4-(4-methoxy-2,5-dimethylbenzoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one

C19H24N4O4 — CID 110814682

IUPAC3-[4-(4-methoxy-2,5-dimethylbenzoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCOc1cc(C)c(C(=O)N2CCN(C(=O)C3=NNC(=O)CC3)CC2)cc1C
InChIInChI=1S/C19H24N4O4/c1-12-11-16(27-3)13(2)10-14(12)18(25)22-6-8-23(9-7-22)19(26)15-4-5-17(24)21-20-15/h10-11H,4-9H2,1-3H3,(H,21,24)
InChIKeyVKSRKPMQKSUWSU-UHFFFAOYSA-N
MW372.43 g/mol
LogP0.86
Rot. Bonds3

About 3-[4-(4-methoxy-2,5-dimethylbenzoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one

3-[4-(4-methoxy-2,5-dimethylbenzoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 110814682) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 3-[4-(4-methoxy-2,5-dimethylbenzoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(4-methoxy-2,5-dimethylbenzoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID110814682
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name3-[4-(4-methoxy-2,5-dimethylbenzoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCOc1cc(C)c(C(=O)N2CCN(C(=O)C3=NNC(=O)CC3)CC2)cc1C
InChIInChI=1S/C19H24N4O4/c1-12-11-16(27-3)13(2)10-14(12)18(25)22-6-8-23(9-7-22)19(26)15-4-5-17(24)21-20-15/h10-11H,4-9H2,1-3H3,(H,21,24)
InChIKeyVKSRKPMQKSUWSU-UHFFFAOYSA-N
XLogP0.86
TPSA91.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 108741818
3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 9335607
(4-methoxy-2,5-dimethylphenyl)-piperazin-1-ylmethanone
CID 82131195
(4-hydroxypiperidin-1-yl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 82486009
3-(pyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 43397830
3-[4-(2-methylphenyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 9153300
methyl 3-[4-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperazin-1-yl]propanoate
CID 78985372
3-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 110802367
3-(4-tert-butylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 61245068
3-[4-[2-(2-methylphenoxy)acetyl]-1,4-diazepane-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 110809804
N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110795331
3-[4-(2-methyl-1,3-benzoxazole-5-carbonyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 110814717

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methoxy-2,5-dimethylbenzoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(4-methoxy-2,5-dimethylbenzoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one (CID 110814682) is 3-[4-(4-methoxy-2,5-dimethylbenzoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(4-methoxy-2,5-dimethylbenzoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(4-methoxy-2,5-dimethylbenzoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one is COc1cc(C)c(C(=O)N2CCN(C(=O)C3=NNC(=O)CC3)CC2)cc1C.
What is the InChIKey of 3-[4-(4-methoxy-2,5-dimethylbenzoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is VKSRKPMQKSUWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-12-11-16(27-3)13(2)10-14(12)18(25)22-6-8-23(9-7-22)19(26)15-4-5-17(24)21-20-15/h10-11H,4-9H2,1-3H3,(H,21,24).
What are the key properties of 3-[4-(4-methoxy-2,5-dimethylbenzoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
3-[4-(4-methoxy-2,5-dimethylbenzoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 372.43 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methoxy-2,5-dimethylbenzoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 110814682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).