2-(4-aminohexyl)-5-piperidin-1-ylpyridazin-3-one

C15H26N4O — CID 106800597

IUPAC2-(4-aminohexyl)-5-piperidin-1-ylpyridazin-3-one
SMILESCCC(N)CCCn1ncc(N2CCCCC2)cc1=O
InChIInChI=1S/C15H26N4O/c1-2-13(16)7-6-10-19-15(20)11-14(12-17-19)18-8-4-3-5-9-18/h11-13H,2-10,16H2,1H3
InChIKeyDWUNSQOWUKLRFV-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.75
Rot. Bonds6

About 2-(4-aminohexyl)-5-piperidin-1-ylpyridazin-3-one

2-(4-aminohexyl)-5-piperidin-1-ylpyridazin-3-one (PubChem CID 106800597) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(4-aminohexyl)-5-piperidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-(4-aminohexyl)-5-piperidin-1-ylpyridazin-3-one
PubChem CID106800597
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-(4-aminohexyl)-5-piperidin-1-ylpyridazin-3-one
SMILESCCC(N)CCCn1ncc(N2CCCCC2)cc1=O
InChIInChI=1S/C15H26N4O/c1-2-13(16)7-6-10-19-15(20)11-14(12-17-19)18-8-4-3-5-9-18/h11-13H,2-10,16H2,1H3
InChIKeyDWUNSQOWUKLRFV-UHFFFAOYSA-N
XLogP1.75
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methyl-2-buten-1-yl)-5-(1-piperidinyl)-3(2H)-pyridazinone
CID 29023190
N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]pentanamide
CID 91924008
1-(6-oxo-1H-pyridazin-4-yl)-N-pentan-3-ylpiperidine-4-carboxamide
CID 53202016
N-cyclopropyl-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
CID 53202100
1-(6-oxo-1-propylpyridazin-4-yl)-N-pentan-3-ylpiperidine-4-carboxamide
CID 53202148
N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
CID 53202150
2-ethyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide
CID 91924017
4-Methyl-N-[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]pentanamide
CID 91924027
3,3-Dimethyl-N-[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]butanamide
CID 91924031
N-[1-(1-Methyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]pentanamide
CID 91924039
2-Ethyl-N-[1-(1-ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]butanamide
CID 91924044
N-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]-3-methylbutanamide
CID 91924046

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminohexyl)-5-piperidin-1-ylpyridazin-3-one?
The IUPAC name of 2-(4-aminohexyl)-5-piperidin-1-ylpyridazin-3-one (CID 106800597) is 2-(4-aminohexyl)-5-piperidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-(4-aminohexyl)-5-piperidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-(4-aminohexyl)-5-piperidin-1-ylpyridazin-3-one is CCC(N)CCCn1ncc(N2CCCCC2)cc1=O.
What is the InChIKey of 2-(4-aminohexyl)-5-piperidin-1-ylpyridazin-3-one?
The InChIKey is DWUNSQOWUKLRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-2-13(16)7-6-10-19-15(20)11-14(12-17-19)18-8-4-3-5-9-18/h11-13H,2-10,16H2,1H3.
What are the key properties of 2-(4-aminohexyl)-5-piperidin-1-ylpyridazin-3-one?
2-(4-aminohexyl)-5-piperidin-1-ylpyridazin-3-one has a molecular weight of 278.40 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminohexyl)-5-piperidin-1-ylpyridazin-3-one is sourced from PubChem (CID 106800597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).