(4R)-4-methyl-3-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one

C16H19N3O2 — CID 71576735

IUPAC(4R)-4-methyl-3-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESC[C@@H]1CC(=O)NN=C1c1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C16H19N3O2/c1-11-10-14(20)17-18-16(11)12-5-7-13(8-6-12)19-9-3-2-4-15(19)21/h5-8,11H,2-4,9-10H2,1H3,(H,17,20)/t11-/m1/s1
InChIKeyAPDQJSGJSBTBIO-LLVKDONJSA-N
MW285.35 g/mol
LogP2.06
Rot. Bonds2

About (4R)-4-methyl-3-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one

(4R)-4-methyl-3-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 71576735) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is (4R)-4-methyl-3-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name(4R)-4-methyl-3-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID71576735
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name(4R)-4-methyl-3-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESC[C@@H]1CC(=O)NN=C1c1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C16H19N3O2/c1-11-10-14(20)17-18-16(11)12-5-7-13(8-6-12)19-9-3-2-4-15(19)21/h5-8,11H,2-4,9-10H2,1H3,(H,17,20)/t11-/m1/s1
InChIKeyAPDQJSGJSBTBIO-LLVKDONJSA-N
XLogP2.06
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-3-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of (4R)-4-methyl-3-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one (CID 71576735) is (4R)-4-methyl-3-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for (4R)-4-methyl-3-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for (4R)-4-methyl-3-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one is C[C@@H]1CC(=O)NN=C1c1ccc(N2CCCCC2=O)cc1.
What is the InChIKey of (4R)-4-methyl-3-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is APDQJSGJSBTBIO-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-10-14(20)17-18-16(11)12-5-7-13(8-6-12)19-9-3-2-4-15(19)21/h5-8,11H,2-4,9-10H2,1H3,(H,17,20)/t11-/m1/s1.
What are the key properties of (4R)-4-methyl-3-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
(4R)-4-methyl-3-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 285.35 g/mol, XLogP of 2.06, 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-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 71576735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).