3-(2,2-dimethyl-4-phenylpiperazine-1-carbonyl)-1H-pyridazin-6-one

C17H20N4O2 — CID 110741223

IUPAC3-(2,2-dimethyl-4-phenylpiperazine-1-carbonyl)-1H-pyridazin-6-one
SMILESCC1(C)CN(c2ccccc2)CCN1C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C17H20N4O2/c1-17(2)12-20(13-6-4-3-5-7-13)10-11-21(17)16(23)14-8-9-15(22)19-18-14/h3-9H,10-12H2,1-2H3,(H,19,22)
InChIKeyXFYVFLGVBXLQSS-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.51
Rot. Bonds2

About 3-(2,2-dimethyl-4-phenylpiperazine-1-carbonyl)-1H-pyridazin-6-one

3-(2,2-dimethyl-4-phenylpiperazine-1-carbonyl)-1H-pyridazin-6-one (PubChem CID 110741223) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-(2,2-dimethyl-4-phenylpiperazine-1-carbonyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(2,2-dimethyl-4-phenylpiperazine-1-carbonyl)-1H-pyridazin-6-one
PubChem CID110741223
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name3-(2,2-dimethyl-4-phenylpiperazine-1-carbonyl)-1H-pyridazin-6-one
SMILESCC1(C)CN(c2ccccc2)CCN1C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C17H20N4O2/c1-17(2)12-20(13-6-4-3-5-7-13)10-11-21(17)16(23)14-8-9-15(22)19-18-14/h3-9H,10-12H2,1-2H3,(H,19,22)
InChIKeyXFYVFLGVBXLQSS-UHFFFAOYSA-N
XLogP1.51
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2,2-dimethyl-4-phenylpiperazine-1-carboxylate
CID 110708479
3-(4-ethyl-4-methylpiperidine-1-carbonyl)-1H-pyridazin-6-one
CID 113229540
6-oxo-N-(1-phenylpiperidin-4-yl)-1H-pyridazine-3-carboxamide
CID 110745882
3-[4-(3-phenylpropanoyl)-1,4-diazepane-1-carbonyl]-1H-pyridazin-6-one
CID 110808340
6-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-1H-pyridazine-3-carboxamide
CID 38442945
3-[4-(6-oxo-1H-pyridin-3-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 110745900
3-[(2R,6R)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-pyridazin-6-one
CID 94823289
3-(4-benzhydrylpiperazine-1-carbonyl)-1H-pyridazin-6-one
CID 2022751
3-(4-benzyl-2,3-dihydroquinoxaline-1-carbonyl)-1H-pyridazin-6-one
CID 75437047
3-[4-(2-phenylethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 35951602
3-(4-benzylsulfonylpiperazine-1-carbonyl)-1H-pyridazin-6-one
CID 9070811
3-(3,5-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one
CID 5227998

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethyl-4-phenylpiperazine-1-carbonyl)-1H-pyridazin-6-one?
The IUPAC name of 3-(2,2-dimethyl-4-phenylpiperazine-1-carbonyl)-1H-pyridazin-6-one (CID 110741223) is 3-(2,2-dimethyl-4-phenylpiperazine-1-carbonyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(2,2-dimethyl-4-phenylpiperazine-1-carbonyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(2,2-dimethyl-4-phenylpiperazine-1-carbonyl)-1H-pyridazin-6-one is CC1(C)CN(c2ccccc2)CCN1C(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of 3-(2,2-dimethyl-4-phenylpiperazine-1-carbonyl)-1H-pyridazin-6-one?
The InChIKey is XFYVFLGVBXLQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-17(2)12-20(13-6-4-3-5-7-13)10-11-21(17)16(23)14-8-9-15(22)19-18-14/h3-9H,10-12H2,1-2H3,(H,19,22).
What are the key properties of 3-(2,2-dimethyl-4-phenylpiperazine-1-carbonyl)-1H-pyridazin-6-one?
3-(2,2-dimethyl-4-phenylpiperazine-1-carbonyl)-1H-pyridazin-6-one has a molecular weight of 312.37 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethyl-4-phenylpiperazine-1-carbonyl)-1H-pyridazin-6-one is sourced from PubChem (CID 110741223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).