carbonic acid;5-morpholin-4-yl-2-piperidin-3-ylpyridazin-3-one

C14H22N4O5 — CID 102555168

IUPACcarbonic acid;5-morpholin-4-yl-2-piperidin-3-ylpyridazin-3-one
SMILESO=C(O)O.O=c1cc(N2CCOCC2)cnn1C1CCCNC1
InChIInChI=1S/C13H20N4O2.CH2O3/c18-13-8-12(16-4-6-19-7-5-16)10-15-17(13)11-2-1-3-14-9-11;2-1(3)4/h8,10-11,14H,1-7,9H2;(H2,2,3,4)
InChIKeyQNCQRPMDCCBHKK-UHFFFAOYSA-N
MW326.35 g/mol
LogP0.23
Rot. Bonds2

About carbonic acid;5-morpholin-4-yl-2-piperidin-3-ylpyridazin-3-one

carbonic acid;5-morpholin-4-yl-2-piperidin-3-ylpyridazin-3-one (PubChem CID 102555168) has the molecular formula C14H22N4O5 and a molecular weight of 326.35 g/mol. Its IUPAC name is carbonic acid;5-morpholin-4-yl-2-piperidin-3-ylpyridazin-3-one.

Molecular Properties

Compound Namecarbonic acid;5-morpholin-4-yl-2-piperidin-3-ylpyridazin-3-one
PubChem CID102555168
Molecular FormulaC14H22N4O5
Molecular Weight326.35 g/mol
Exact Mass326.16
IUPAC Namecarbonic acid;5-morpholin-4-yl-2-piperidin-3-ylpyridazin-3-one
SMILESO=C(O)O.O=c1cc(N2CCOCC2)cnn1C1CCCNC1
InChIInChI=1S/C13H20N4O2.CH2O3/c18-13-8-12(16-4-6-19-7-5-16)10-15-17(13)11-2-1-3-14-9-11;2-1(3)4/h8,10-11,14H,1-7,9H2;(H2,2,3,4)
InChIKeyQNCQRPMDCCBHKK-UHFFFAOYSA-N
XLogP0.23
TPSA116.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze carbonic acid;5-morpholin-4-yl-2-piperidin-3-ylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of carbonic acid;5-morpholin-4-yl-2-piperidin-3-ylpyridazin-3-one?
The IUPAC name of carbonic acid;5-morpholin-4-yl-2-piperidin-3-ylpyridazin-3-one (CID 102555168) is carbonic acid;5-morpholin-4-yl-2-piperidin-3-ylpyridazin-3-one.
What is the SMILES notation for carbonic acid;5-morpholin-4-yl-2-piperidin-3-ylpyridazin-3-one?
The canonical SMILES for carbonic acid;5-morpholin-4-yl-2-piperidin-3-ylpyridazin-3-one is O=C(O)O.O=c1cc(N2CCOCC2)cnn1C1CCCNC1.
What is the InChIKey of carbonic acid;5-morpholin-4-yl-2-piperidin-3-ylpyridazin-3-one?
The InChIKey is QNCQRPMDCCBHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2.CH2O3/c18-13-8-12(16-4-6-19-7-5-16)10-15-17(13)11-2-1-3-14-9-11;2-1(3)4/h8,10-11,14H,1-7,9H2;(H2,2,3,4).
What are the key properties of carbonic acid;5-morpholin-4-yl-2-piperidin-3-ylpyridazin-3-one?
carbonic acid;5-morpholin-4-yl-2-piperidin-3-ylpyridazin-3-one has a molecular weight of 326.35 g/mol, XLogP of 0.23, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;5-morpholin-4-yl-2-piperidin-3-ylpyridazin-3-one is sourced from PubChem (CID 102555168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).