2-[2-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one

C19H22N4O4 — CID 70751844

IUPAC2-[2-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one
SMILESCOc1cccc(C(=O)N2CCN(C(=O)Cn3nc(C)ccc3=O)CC2)c1
InChIInChI=1S/C19H22N4O4/c1-14-6-7-17(24)23(20-14)13-18(25)21-8-10-22(11-9-21)19(26)15-4-3-5-16(12-15)27-2/h3-7,12H,8-11,13H2,1-2H3
InChIKeySHXARBCNYDVQLK-UHFFFAOYSA-N
MW370.41 g/mol
LogP0.54
Rot. Bonds4

About 2-[2-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one

2-[2-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one (PubChem CID 70751844) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-[2-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one
PubChem CID70751844
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name2-[2-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one
SMILESCOc1cccc(C(=O)N2CCN(C(=O)Cn3nc(C)ccc3=O)CC2)c1
InChIInChI=1S/C19H22N4O4/c1-14-6-7-17(24)23(20-14)13-18(25)21-8-10-22(11-9-21)19(26)15-4-3-5-16(12-15)27-2/h3-7,12H,8-11,13H2,1-2H3
InChIKeySHXARBCNYDVQLK-UHFFFAOYSA-N
XLogP0.54
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(benzimidazol-1-yl)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone
CID 70756985
2-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one
CID 55828960
6-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one
CID 38047108
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 110365049
3-(dimethylamino)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]propan-1-one
CID 110603347
2-[2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one
CID 55824562
2-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]sulfanylacetamide
CID 38047605
6-methoxy-2-[2-(3-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
CID 105061863
2-[2-[4-hydroxy-4-(phenoxymethyl)piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one
CID 133079824
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
(3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 712550
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone
CID 51926336

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[2-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one (CID 70751844) is 2-[2-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[2-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[2-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one is COc1cccc(C(=O)N2CCN(C(=O)Cn3nc(C)ccc3=O)CC2)c1.
What is the InChIKey of 2-[2-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one?
The InChIKey is SHXARBCNYDVQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-14-6-7-17(24)23(20-14)13-18(25)21-8-10-22(11-9-21)19(26)15-4-3-5-16(12-15)27-2/h3-7,12H,8-11,13H2,1-2H3.
What are the key properties of 2-[2-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one?
2-[2-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one has a molecular weight of 370.41 g/mol, XLogP of 0.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 70751844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).