2-(4-morpholin-2-ylbutyl)-4-piperidin-1-ylpyridazin-3-one

C17H28N4O2 — CID 175314913

IUPAC2-(4-morpholin-2-ylbutyl)-4-piperidin-1-ylpyridazin-3-one
SMILESO=c1c(N2CCCCC2)ccnn1CCCCC1CNCCO1
InChIInChI=1S/C17H28N4O2/c22-17-16(20-10-3-1-4-11-20)7-8-19-21(17)12-5-2-6-15-14-18-9-13-23-15/h7-8,15,18H,1-6,9-14H2
InChIKeySKNXKPKPQLWTEE-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.39
Rot. Bonds6

About 2-(4-morpholin-2-ylbutyl)-4-piperidin-1-ylpyridazin-3-one

2-(4-morpholin-2-ylbutyl)-4-piperidin-1-ylpyridazin-3-one (PubChem CID 175314913) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-(4-morpholin-2-ylbutyl)-4-piperidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-(4-morpholin-2-ylbutyl)-4-piperidin-1-ylpyridazin-3-one
PubChem CID175314913
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name2-(4-morpholin-2-ylbutyl)-4-piperidin-1-ylpyridazin-3-one
SMILESO=c1c(N2CCCCC2)ccnn1CCCCC1CNCCO1
InChIInChI=1S/C17H28N4O2/c22-17-16(20-10-3-1-4-11-20)7-8-19-21(17)12-5-2-6-15-14-18-9-13-23-15/h7-8,15,18H,1-6,9-14H2
InChIKeySKNXKPKPQLWTEE-UHFFFAOYSA-N
XLogP1.39
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-2-ylbutyl)-4-piperidin-1-ylpyridazin-3-one?
The IUPAC name of 2-(4-morpholin-2-ylbutyl)-4-piperidin-1-ylpyridazin-3-one (CID 175314913) is 2-(4-morpholin-2-ylbutyl)-4-piperidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-(4-morpholin-2-ylbutyl)-4-piperidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-(4-morpholin-2-ylbutyl)-4-piperidin-1-ylpyridazin-3-one is O=c1c(N2CCCCC2)ccnn1CCCCC1CNCCO1.
What is the InChIKey of 2-(4-morpholin-2-ylbutyl)-4-piperidin-1-ylpyridazin-3-one?
The InChIKey is SKNXKPKPQLWTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c22-17-16(20-10-3-1-4-11-20)7-8-19-21(17)12-5-2-6-15-14-18-9-13-23-15/h7-8,15,18H,1-6,9-14H2.
What are the key properties of 2-(4-morpholin-2-ylbutyl)-4-piperidin-1-ylpyridazin-3-one?
2-(4-morpholin-2-ylbutyl)-4-piperidin-1-ylpyridazin-3-one has a molecular weight of 320.44 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-2-ylbutyl)-4-piperidin-1-ylpyridazin-3-one is sourced from PubChem (CID 175314913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).