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

C18H28N4O2 — CID 53202229

IUPAC5-[4-(piperidine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one
SMILESCCCn1ncc(N2CCC(C(=O)N3CCCCC3)CC2)cc1=O
InChIInChI=1S/C18H28N4O2/c1-2-8-22-17(23)13-16(14-19-22)20-11-6-15(7-12-20)18(24)21-9-4-3-5-10-21/h13-15H,2-12H2,1H3
InChIKeyGFPOBFIRYNQMMY-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.88
Rot. Bonds4

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

5-[4-(piperidine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one (PubChem CID 53202229) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 5-[4-(piperidine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one.

Molecular Properties

Compound Name5-[4-(piperidine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one
PubChem CID53202229
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name5-[4-(piperidine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one
SMILESCCCn1ncc(N2CCC(C(=O)N3CCCCC3)CC2)cc1=O
InChIInChI=1S/C18H28N4O2/c1-2-8-22-17(23)13-16(14-19-22)20-11-6-15(7-12-20)18(24)21-9-4-3-5-10-21/h13-15H,2-12H2,1H3
InChIKeyGFPOBFIRYNQMMY-UHFFFAOYSA-N
XLogP1.88
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-{4-[(1-ethyl-6-oxo-3-piperidinyl)carbonyl]-1-piperazinyl}-2-methyl-3(2H)-pyridazinone
CID 72861124
5-{4-[(1-isopropyl-3-piperidinyl)carbonyl]-1-piperazinyl}-2-methyl-3(2H)-pyridazinone
CID 72887593
2-methyl-5-{4-[(1-propionyl-3-piperidinyl)carbonyl]-1-piperazinyl}-3(2H)-pyridazinone
CID 72906911
5-{4-[(1-acetyl-3-piperidinyl)carbonyl]-1-piperazinyl}-2-methyl-3(2H)-pyridazinone
CID 72924136
2-methyl-5-{3-[2-(4-methylpiperazino)-2-oxoethyl]piperidino}-3(2H)-pyridazinone
CID 91917387
2-Ethyl-5-{3-[2-(4-ethylpiperazin-1-YL)-2-oxoethyl]piperidin-1-YL}-2,3-dihydropyridazin-3-one
CID 91917457
N-(3-methylbutyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 53202012
1-(6-oxo-1H-pyridazin-4-yl)-N-pentan-3-ylpiperidine-4-carboxamide
CID 53202016
4-[4-(4-propylpiperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one
CID 53202026
N-butyl-N-methyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 53202047
4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one
CID 53202050
N-(2-methylpropyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 53202052

Frequently Asked Questions

What is the IUPAC name of 5-[4-(piperidine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one?
The IUPAC name of 5-[4-(piperidine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one (CID 53202229) is 5-[4-(piperidine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one.
What is the SMILES notation for 5-[4-(piperidine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one?
The canonical SMILES for 5-[4-(piperidine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one is CCCn1ncc(N2CCC(C(=O)N3CCCCC3)CC2)cc1=O.
What is the InChIKey of 5-[4-(piperidine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one?
The InChIKey is GFPOBFIRYNQMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-2-8-22-17(23)13-16(14-19-22)20-11-6-15(7-12-20)18(24)21-9-4-3-5-10-21/h13-15H,2-12H2,1H3.
What are the key properties of 5-[4-(piperidine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one?
5-[4-(piperidine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one has a molecular weight of 332.45 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(piperidine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one is sourced from PubChem (CID 53202229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).