methyl 3-[4-(pyridazine-4-carbonyl)piperazin-1-yl]propanoate

C13H18N4O3 — CID 115769373

IUPACmethyl 3-[4-(pyridazine-4-carbonyl)piperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(C(=O)c2ccnnc2)CC1
InChIInChI=1S/C13H18N4O3/c1-20-12(18)3-5-16-6-8-17(9-7-16)13(19)11-2-4-14-15-10-11/h2,4,10H,3,5-9H2,1H3
InChIKeyVHNRMWWSCMPHEA-UHFFFAOYSA-N
MW278.31 g/mol
LogP-0.20
Rot. Bonds4

About methyl 3-[4-(pyridazine-4-carbonyl)piperazin-1-yl]propanoate

methyl 3-[4-(pyridazine-4-carbonyl)piperazin-1-yl]propanoate (PubChem CID 115769373) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is methyl 3-[4-(pyridazine-4-carbonyl)piperazin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-(pyridazine-4-carbonyl)piperazin-1-yl]propanoate
PubChem CID115769373
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Namemethyl 3-[4-(pyridazine-4-carbonyl)piperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(C(=O)c2ccnnc2)CC1
InChIInChI=1S/C13H18N4O3/c1-20-12(18)3-5-16-6-8-17(9-7-16)13(19)11-2-4-14-15-10-11/h2,4,10H,3,5-9H2,1H3
InChIKeyVHNRMWWSCMPHEA-UHFFFAOYSA-N
XLogP-0.20
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methylpiperazin-1-yl)-pyridazin-4-ylmethanone
CID 112702155
[4-(4-aminobutyl)piperazin-1-yl]-pyridazin-4-ylmethanone
CID 104668899
methyl 3-[4-(5-iodothiophene-3-carbonyl)piperazin-1-yl]propanoate
CID 78950196
(4-ethylphenyl)-[4-(pyridazine-4-carbonyl)piperazin-1-yl]methanone
CID 146084360
methyl 3-[4-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperazin-1-yl]propanoate
CID 79166118
3-[4-(pyridine-3-carbonyl)piperazin-1-yl]propanamide
CID 826549
[4-(propylamino)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 104668815
methyl 3-[4-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperazin-1-yl]propanoate
CID 78985372
methyl 3-(4-acetyl-1,4-diazepan-1-yl)propanoate
CID 60699890
methyl 3-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoate
CID 113221897
methyl 3-[4-(3-chloro-4-methylthiophene-2-carbonyl)piperazin-1-yl]propanoate
CID 103404033
methyl 3-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]propanoate
CID 106504838

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(pyridazine-4-carbonyl)piperazin-1-yl]propanoate?
The IUPAC name of methyl 3-[4-(pyridazine-4-carbonyl)piperazin-1-yl]propanoate (CID 115769373) is methyl 3-[4-(pyridazine-4-carbonyl)piperazin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[4-(pyridazine-4-carbonyl)piperazin-1-yl]propanoate?
The canonical SMILES for methyl 3-[4-(pyridazine-4-carbonyl)piperazin-1-yl]propanoate is COC(=O)CCN1CCN(C(=O)c2ccnnc2)CC1.
What is the InChIKey of methyl 3-[4-(pyridazine-4-carbonyl)piperazin-1-yl]propanoate?
The InChIKey is VHNRMWWSCMPHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-20-12(18)3-5-16-6-8-17(9-7-16)13(19)11-2-4-14-15-10-11/h2,4,10H,3,5-9H2,1H3.
What are the key properties of methyl 3-[4-(pyridazine-4-carbonyl)piperazin-1-yl]propanoate?
methyl 3-[4-(pyridazine-4-carbonyl)piperazin-1-yl]propanoate has a molecular weight of 278.31 g/mol, XLogP of -0.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(pyridazine-4-carbonyl)piperazin-1-yl]propanoate is sourced from PubChem (CID 115769373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).