6-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2-phenylpyridazin-3-one

C18H22N4O2 — CID 120820095

IUPAC6-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2-phenylpyridazin-3-one
SMILESCC1(C)CN(C(=O)c2ccc(=O)n(-c3ccccc3)n2)CCC1N
InChIInChI=1S/C18H22N4O2/c1-18(2)12-21(11-10-15(18)19)17(24)14-8-9-16(23)22(20-14)13-6-4-3-5-7-13/h3-9,15H,10-12,19H2,1-2H3
InChIKeyYKPZXZBZIXSITH-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.43
Rot. Bonds2

About 6-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2-phenylpyridazin-3-one

6-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2-phenylpyridazin-3-one (PubChem CID 120820095) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 6-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name6-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2-phenylpyridazin-3-one
PubChem CID120820095
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name6-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2-phenylpyridazin-3-one
SMILESCC1(C)CN(C(=O)c2ccc(=O)n(-c3ccccc3)n2)CCC1N
InChIInChI=1S/C18H22N4O2/c1-18(2)12-21(11-10-15(18)19)17(24)14-8-9-16(23)22(20-14)13-6-4-3-5-7-13/h3-9,15H,10-12,19H2,1-2H3
InChIKeyYKPZXZBZIXSITH-UHFFFAOYSA-N
XLogP1.43
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-amino-3,3-dimethylpiperidin-1-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 120816830
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone;hydrochloride
CID 120817858
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
CID 120818647
6-[3-(dimethylamino)azetidine-1-carbonyl]-2-phenylpyridazin-3-one
CID 100666593
(4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride
CID 120815405
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(3-chlorophenyl)pyrazol-3-yl]methanone;hydrochloride
CID 120820060
3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one
CID 114267658
6-oxo-1-phenylpyridazine-3-carboxylic acid
CID 16771713
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-bromo-2-pyridinyl)methanone
CID 120816364
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloro-2-pyridinyl)methanone
CID 120818056
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone;dihydrochloride
CID 120819742
(3R)-1-[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124695620

Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2-phenylpyridazin-3-one?
The IUPAC name of 6-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2-phenylpyridazin-3-one (CID 120820095) is 6-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2-phenylpyridazin-3-one.
What is the SMILES notation for 6-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2-phenylpyridazin-3-one?
The canonical SMILES for 6-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2-phenylpyridazin-3-one is CC1(C)CN(C(=O)c2ccc(=O)n(-c3ccccc3)n2)CCC1N.
What is the InChIKey of 6-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2-phenylpyridazin-3-one?
The InChIKey is YKPZXZBZIXSITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-18(2)12-21(11-10-15(18)19)17(24)14-8-9-16(23)22(20-14)13-6-4-3-5-7-13/h3-9,15H,10-12,19H2,1-2H3.
What are the key properties of 6-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2-phenylpyridazin-3-one?
6-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2-phenylpyridazin-3-one has a molecular weight of 326.40 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2-phenylpyridazin-3-one is sourced from PubChem (CID 120820095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).