5-[4-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-propylpyridazin-3-one

C20H32N4O3 — CID 53202169

IUPAC5-[4-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-propylpyridazin-3-one
SMILESCCCn1ncc(N2CCC(C(=O)N3CCC(COC)CC3)CC2)cc1=O
InChIInChI=1S/C20H32N4O3/c1-3-8-24-19(25)13-18(14-21-24)22-11-6-17(7-12-22)20(26)23-9-4-16(5-10-23)15-27-2/h13-14,16-17H,3-12,15H2,1-2H3
InChIKeyKAYYDWUHXUTGPG-UHFFFAOYSA-N
MW376.50 g/mol
LogP1.75
Rot. Bonds6

About 5-[4-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-propylpyridazin-3-one

5-[4-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-propylpyridazin-3-one (PubChem CID 53202169) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is 5-[4-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-propylpyridazin-3-one.

Molecular Properties

Compound Name5-[4-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-propylpyridazin-3-one
PubChem CID53202169
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC Name5-[4-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-propylpyridazin-3-one
SMILESCCCn1ncc(N2CCC(C(=O)N3CCC(COC)CC3)CC2)cc1=O
InChIInChI=1S/C20H32N4O3/c1-3-8-24-19(25)13-18(14-21-24)22-11-6-17(7-12-22)20(26)23-9-4-16(5-10-23)15-27-2/h13-14,16-17H,3-12,15H2,1-2H3
InChIKeyKAYYDWUHXUTGPG-UHFFFAOYSA-N
XLogP1.75
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-propylpyridazin-3-one?
The IUPAC name of 5-[4-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-propylpyridazin-3-one (CID 53202169) is 5-[4-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-propylpyridazin-3-one.
What is the SMILES notation for 5-[4-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-propylpyridazin-3-one?
The canonical SMILES for 5-[4-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-propylpyridazin-3-one is CCCn1ncc(N2CCC(C(=O)N3CCC(COC)CC3)CC2)cc1=O.
What is the InChIKey of 5-[4-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-propylpyridazin-3-one?
The InChIKey is KAYYDWUHXUTGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-3-8-24-19(25)13-18(14-21-24)22-11-6-17(7-12-22)20(26)23-9-4-16(5-10-23)15-27-2/h13-14,16-17H,3-12,15H2,1-2H3.
What are the key properties of 5-[4-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-propylpyridazin-3-one?
5-[4-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-propylpyridazin-3-one has a molecular weight of 376.50 g/mol, XLogP of 1.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-propylpyridazin-3-one is sourced from PubChem (CID 53202169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).