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

C19H30N4O2 — CID 53202194

IUPAC5-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one
SMILESCCCn1ncc(N2CCC(C(=O)N3CCC(C)CC3)CC2)cc1=O
InChIInChI=1S/C19H30N4O2/c1-3-8-23-18(24)13-17(14-20-23)21-11-6-16(7-12-21)19(25)22-9-4-15(2)5-10-22/h13-16H,3-12H2,1-2H3
InChIKeyFVMUJNHXMREJOA-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.13
Rot. Bonds4

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

5-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one (PubChem CID 53202194) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 5-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one.

Molecular Properties

Compound Name5-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one
PubChem CID53202194
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name5-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one
SMILESCCCn1ncc(N2CCC(C(=O)N3CCC(C)CC3)CC2)cc1=O
InChIInChI=1S/C19H30N4O2/c1-3-8-23-18(24)13-17(14-20-23)21-11-6-16(7-12-21)19(25)22-9-4-15(2)5-10-22/h13-16H,3-12H2,1-2H3
InChIKeyFVMUJNHXMREJOA-UHFFFAOYSA-N
XLogP2.13
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.13
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-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one?
The IUPAC name of 5-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one (CID 53202194) is 5-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one.
What is the SMILES notation for 5-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one?
The canonical SMILES for 5-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one is CCCn1ncc(N2CCC(C(=O)N3CCC(C)CC3)CC2)cc1=O.
What is the InChIKey of 5-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one?
The InChIKey is FVMUJNHXMREJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-3-8-23-18(24)13-17(14-20-23)21-11-6-16(7-12-21)19(25)22-9-4-15(2)5-10-22/h13-16H,3-12H2,1-2H3.
What are the key properties of 5-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one?
5-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one has a molecular weight of 346.48 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one is sourced from PubChem (CID 53202194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).