4-[[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]amino]-2-methylpyridazin-3-one

C12H18N4O3 — CID 66957754

IUPAC4-[[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]amino]-2-methylpyridazin-3-one
SMILESCn1nccc(NCC(=O)N2CCC(O)CC2)c1=O
InChIInChI=1S/C12H18N4O3/c1-15-12(19)10(2-5-14-15)13-8-11(18)16-6-3-9(17)4-7-16/h2,5,9,13,17H,3-4,6-8H2,1H3
InChIKeyPCORUGVHJOIMSB-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.82
Rot. Bonds3

About 4-[[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]amino]-2-methylpyridazin-3-one

4-[[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]amino]-2-methylpyridazin-3-one (PubChem CID 66957754) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-[[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]amino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-[[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]amino]-2-methylpyridazin-3-one
PubChem CID66957754
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name4-[[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]amino]-2-methylpyridazin-3-one
SMILESCn1nccc(NCC(=O)N2CCC(O)CC2)c1=O
InChIInChI=1S/C12H18N4O3/c1-15-12(19)10(2-5-14-15)13-8-11(18)16-6-3-9(17)4-7-16/h2,5,9,13,17H,3-4,6-8H2,1H3
InChIKeyPCORUGVHJOIMSB-UHFFFAOYSA-N
XLogP-0.82
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]amino]-2-methylpyridazin-3-one?
The IUPAC name of 4-[[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]amino]-2-methylpyridazin-3-one (CID 66957754) is 4-[[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]amino]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-[[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]amino]-2-methylpyridazin-3-one?
The canonical SMILES for 4-[[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]amino]-2-methylpyridazin-3-one is Cn1nccc(NCC(=O)N2CCC(O)CC2)c1=O.
What is the InChIKey of 4-[[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]amino]-2-methylpyridazin-3-one?
The InChIKey is PCORUGVHJOIMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-15-12(19)10(2-5-14-15)13-8-11(18)16-6-3-9(17)4-7-16/h2,5,9,13,17H,3-4,6-8H2,1H3.
What are the key properties of 4-[[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]amino]-2-methylpyridazin-3-one?
4-[[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]amino]-2-methylpyridazin-3-one has a molecular weight of 266.30 g/mol, XLogP of -0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]amino]-2-methylpyridazin-3-one is sourced from PubChem (CID 66957754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).