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

C19H25N3O2 — CID 45205478

IUPAC2-methyl-6-[3-(2-phenylethyl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one
SMILESCN1N=C(C(=O)N2CCCC(CCc3ccccc3)C2)CCC1=O
InChIInChI=1S/C19H25N3O2/c1-21-18(23)12-11-17(20-21)19(24)22-13-5-8-16(14-22)10-9-15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-14H2,1H3
InChIKeyZLBDRATWDOVKFA-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.47
Rot. Bonds4

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

2-methyl-6-[3-(2-phenylethyl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one (PubChem CID 45205478) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-methyl-6-[3-(2-phenylethyl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[3-(2-phenylethyl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one
PubChem CID45205478
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2-methyl-6-[3-(2-phenylethyl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one
SMILESCN1N=C(C(=O)N2CCCC(CCc3ccccc3)C2)CCC1=O
InChIInChI=1S/C19H25N3O2/c1-21-18(23)12-11-17(20-21)19(24)22-13-5-8-16(14-22)10-9-15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-14H2,1H3
InChIKeyZLBDRATWDOVKFA-UHFFFAOYSA-N
XLogP2.47
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[3-(2-phenylethyl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-methyl-6-[3-(2-phenylethyl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one (CID 45205478) is 2-methyl-6-[3-(2-phenylethyl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[3-(2-phenylethyl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-methyl-6-[3-(2-phenylethyl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one is CN1N=C(C(=O)N2CCCC(CCc3ccccc3)C2)CCC1=O.
What is the InChIKey of 2-methyl-6-[3-(2-phenylethyl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one?
The InChIKey is ZLBDRATWDOVKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-21-18(23)12-11-17(20-21)19(24)22-13-5-8-16(14-22)10-9-15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-14H2,1H3.
What are the key properties of 2-methyl-6-[3-(2-phenylethyl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one?
2-methyl-6-[3-(2-phenylethyl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one has a molecular weight of 327.43 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[3-(2-phenylethyl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 45205478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).