(4R)-4-methyl-3-(4-piperidin-1-ylphenyl)-4,5-dihydro-1H-pyridazin-6-one

C16H21N3O — CID 71576770

IUPAC(4R)-4-methyl-3-(4-piperidin-1-ylphenyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESC[C@@H]1CC(=O)NN=C1c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C16H21N3O/c1-12-11-15(20)17-18-16(12)13-5-7-14(8-6-13)19-9-3-2-4-10-19/h5-8,12H,2-4,9-11H2,1H3,(H,17,20)/t12-/m1/s1
InChIKeyASKXYSHEHZJZOT-GFCCVEGCSA-N
MW271.36 g/mol
LogP2.54
Rot. Bonds2

About (4R)-4-methyl-3-(4-piperidin-1-ylphenyl)-4,5-dihydro-1H-pyridazin-6-one

(4R)-4-methyl-3-(4-piperidin-1-ylphenyl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 71576770) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is (4R)-4-methyl-3-(4-piperidin-1-ylphenyl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name(4R)-4-methyl-3-(4-piperidin-1-ylphenyl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID71576770
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name(4R)-4-methyl-3-(4-piperidin-1-ylphenyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESC[C@@H]1CC(=O)NN=C1c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C16H21N3O/c1-12-11-15(20)17-18-16(12)13-5-7-14(8-6-13)19-9-3-2-4-10-19/h5-8,12H,2-4,9-11H2,1H3,(H,17,20)/t12-/m1/s1
InChIKeyASKXYSHEHZJZOT-GFCCVEGCSA-N
XLogP2.54
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 123222448
(4R)-4-methyl-3-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 71576735
(4R)-3-(4-bromophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 154664066
4-methyl-3-[4-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 56692910
3-(4-imidazol-1-ylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 3021729
4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide
CID 14623690
N-[4-[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]acetamide
CID 10562323
(4R)-3-(3,4-difluorophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 71576736
3-[4-(dichloromethoxymethylamino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 70572990
tert-butyl 4-[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 176913239
3-[1-(cyclohexanecarbonyl)benzotriazol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 3070042
4-methyl-3-[2-[[6-oxo-3-(2-piperidin-1-yl-1,3-benzoxazol-6-yl)-4,5-dihydro-1H-pyridazin-5-yl]methyl]-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one
CID 67464484

Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-3-(4-piperidin-1-ylphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of (4R)-4-methyl-3-(4-piperidin-1-ylphenyl)-4,5-dihydro-1H-pyridazin-6-one (CID 71576770) is (4R)-4-methyl-3-(4-piperidin-1-ylphenyl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for (4R)-4-methyl-3-(4-piperidin-1-ylphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for (4R)-4-methyl-3-(4-piperidin-1-ylphenyl)-4,5-dihydro-1H-pyridazin-6-one is C[C@@H]1CC(=O)NN=C1c1ccc(N2CCCCC2)cc1.
What is the InChIKey of (4R)-4-methyl-3-(4-piperidin-1-ylphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is ASKXYSHEHZJZOT-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12-11-15(20)17-18-16(12)13-5-7-14(8-6-13)19-9-3-2-4-10-19/h5-8,12H,2-4,9-11H2,1H3,(H,17,20)/t12-/m1/s1.
What are the key properties of (4R)-4-methyl-3-(4-piperidin-1-ylphenyl)-4,5-dihydro-1H-pyridazin-6-one?
(4R)-4-methyl-3-(4-piperidin-1-ylphenyl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 271.36 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-3-(4-piperidin-1-ylphenyl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 71576770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).