6-[3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one

C19H23F2N3O2 — CID 45217934

IUPAC6-[3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
SMILESCN1N=C(C(=O)N2CCCC(CCc3ccc(F)c(F)c3)C2)CCC1=O
InChIInChI=1S/C19H23F2N3O2/c1-23-18(25)9-8-17(22-23)19(26)24-10-2-3-14(12-24)5-4-13-6-7-15(20)16(21)11-13/h6-7,11,14H,2-5,8-10,12H2,1H3
InChIKeyGYPAENJLHOPSAC-UHFFFAOYSA-N
MW363.41 g/mol
LogP2.74
Rot. Bonds4

About 6-[3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one

6-[3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one (PubChem CID 45217934) has the molecular formula C19H23F2N3O2 and a molecular weight of 363.41 g/mol. Its IUPAC name is 6-[3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-[3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
PubChem CID45217934
Molecular FormulaC19H23F2N3O2
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Name6-[3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
SMILESCN1N=C(C(=O)N2CCCC(CCc3ccc(F)c(F)c3)C2)CCC1=O
InChIInChI=1S/C19H23F2N3O2/c1-23-18(25)9-8-17(22-23)19(26)24-10-2-3-14(12-24)5-4-13-6-7-15(20)16(21)11-13/h6-7,11,14H,2-5,8-10,12H2,1H3
InChIKeyGYPAENJLHOPSAC-UHFFFAOYSA-N
XLogP2.74
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-[3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one (CID 45217934) is 6-[3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-[3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-[3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one is CN1N=C(C(=O)N2CCCC(CCc3ccc(F)c(F)c3)C2)CCC1=O.
What is the InChIKey of 6-[3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one?
The InChIKey is GYPAENJLHOPSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O2/c1-23-18(25)9-8-17(22-23)19(26)24-10-2-3-14(12-24)5-4-13-6-7-15(20)16(21)11-13/h6-7,11,14H,2-5,8-10,12H2,1H3.
What are the key properties of 6-[3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one?
6-[3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one has a molecular weight of 363.41 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 45217934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).