6-methyl-2-[[1-(1-phenylethyl)piperidin-4-yl]methyl]pyridazin-3-one

C19H25N3O — CID 126863947

IUPAC6-methyl-2-[[1-(1-phenylethyl)piperidin-4-yl]methyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CC2CCN(C(C)c3ccccc3)CC2)n1
InChIInChI=1S/C19H25N3O/c1-15-8-9-19(23)22(20-15)14-17-10-12-21(13-11-17)16(2)18-6-4-3-5-7-18/h3-9,16-17H,10-14H2,1-2H3
InChIKeySYOZSUKCFYJDFM-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.02
Rot. Bonds4

About 6-methyl-2-[[1-(1-phenylethyl)piperidin-4-yl]methyl]pyridazin-3-one

6-methyl-2-[[1-(1-phenylethyl)piperidin-4-yl]methyl]pyridazin-3-one (PubChem CID 126863947) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 6-methyl-2-[[1-(1-phenylethyl)piperidin-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methyl-2-[[1-(1-phenylethyl)piperidin-4-yl]methyl]pyridazin-3-one
PubChem CID126863947
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name6-methyl-2-[[1-(1-phenylethyl)piperidin-4-yl]methyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CC2CCN(C(C)c3ccccc3)CC2)n1
InChIInChI=1S/C19H25N3O/c1-15-8-9-19(23)22(20-15)14-17-10-12-21(13-11-17)16(2)18-6-4-3-5-7-18/h3-9,16-17H,10-14H2,1-2H3
InChIKeySYOZSUKCFYJDFM-UHFFFAOYSA-N
XLogP3.02
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126863942
2-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126863941
6-methyl-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126863975
2-[[1-(cyclopentylmethyl)azetidin-3-yl]methyl]-6-methylpyridazin-3-one
CID 126927179
6-methyl-2-[[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
CID 126864091
N,N-dimethyl-2-[1-(1-phenylethyl)piperidin-4-yl]ethanamine
CID 60542956
6-methyl-2-[[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyridazin-3-one
CID 126863917
1-(1-phenylethyl)piperidin-4-amine
CID 12641844
6-methyl-2-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyridazin-3-one
CID 126864247
6-methyl-2-[[1-(1,2,5-oxadiazol-3-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126864063
6-methyl-2-[[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
CID 126864051
3-methyl-6-[4-[(3-methyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]-1H-pyrimidine-2,4-dione
CID 126863992

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[1-(1-phenylethyl)piperidin-4-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-methyl-2-[[1-(1-phenylethyl)piperidin-4-yl]methyl]pyridazin-3-one (CID 126863947) is 6-methyl-2-[[1-(1-phenylethyl)piperidin-4-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-methyl-2-[[1-(1-phenylethyl)piperidin-4-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-methyl-2-[[1-(1-phenylethyl)piperidin-4-yl]methyl]pyridazin-3-one is Cc1ccc(=O)n(CC2CCN(C(C)c3ccccc3)CC2)n1.
What is the InChIKey of 6-methyl-2-[[1-(1-phenylethyl)piperidin-4-yl]methyl]pyridazin-3-one?
The InChIKey is SYOZSUKCFYJDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-15-8-9-19(23)22(20-15)14-17-10-12-21(13-11-17)16(2)18-6-4-3-5-7-18/h3-9,16-17H,10-14H2,1-2H3.
What are the key properties of 6-methyl-2-[[1-(1-phenylethyl)piperidin-4-yl]methyl]pyridazin-3-one?
6-methyl-2-[[1-(1-phenylethyl)piperidin-4-yl]methyl]pyridazin-3-one has a molecular weight of 311.43 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[1-(1-phenylethyl)piperidin-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126863947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).