6-(4-chlorophenyl)-2-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]pyridazin-3-one

C20H24ClN3O2 — CID 3611293

IUPAC6-(4-chlorophenyl)-2-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]pyridazin-3-one
SMILESCC1CC(C)CN(C(=O)CCn2nc(-c3ccc(Cl)cc3)ccc2=O)C1
InChIInChI=1S/C20H24ClN3O2/c1-14-11-15(2)13-23(12-14)19(25)9-10-24-20(26)8-7-18(22-24)16-3-5-17(21)6-4-16/h3-8,14-15H,9-13H2,1-2H3
InChIKeyBEFIFIZFIGOMQP-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.46
Rot. Bonds4

About 6-(4-chlorophenyl)-2-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]pyridazin-3-one

6-(4-chlorophenyl)-2-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]pyridazin-3-one (PubChem CID 3611293) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]pyridazin-3-one
PubChem CID3611293
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name6-(4-chlorophenyl)-2-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]pyridazin-3-one
SMILESCC1CC(C)CN(C(=O)CCn2nc(-c3ccc(Cl)cc3)ccc2=O)C1
InChIInChI=1S/C20H24ClN3O2/c1-14-11-15(2)13-23(12-14)19(25)9-10-24-20(26)8-7-18(22-24)16-3-5-17(21)6-4-16/h3-8,14-15H,9-13H2,1-2H3
InChIKeyBEFIFIZFIGOMQP-UHFFFAOYSA-N
XLogP3.46
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]pyridazin-3-one?
The IUPAC name of 6-(4-chlorophenyl)-2-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]pyridazin-3-one (CID 3611293) is 6-(4-chlorophenyl)-2-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]pyridazin-3-one.
What is the SMILES notation for 6-(4-chlorophenyl)-2-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]pyridazin-3-one?
The canonical SMILES for 6-(4-chlorophenyl)-2-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]pyridazin-3-one is CC1CC(C)CN(C(=O)CCn2nc(-c3ccc(Cl)cc3)ccc2=O)C1.
What is the InChIKey of 6-(4-chlorophenyl)-2-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]pyridazin-3-one?
The InChIKey is BEFIFIZFIGOMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-14-11-15(2)13-23(12-14)19(25)9-10-24-20(26)8-7-18(22-24)16-3-5-17(21)6-4-16/h3-8,14-15H,9-13H2,1-2H3.
What are the key properties of 6-(4-chlorophenyl)-2-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]pyridazin-3-one?
6-(4-chlorophenyl)-2-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]pyridazin-3-one has a molecular weight of 373.88 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]pyridazin-3-one is sourced from PubChem (CID 3611293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).