5-acetyl-6-methyl-3-[4-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one

C23H24N4O3 — CID 56758939

IUPAC5-acetyl-6-methyl-3-[4-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCC(=O)c1cc(C(=O)N2CCC(c3[nH]ncc3-c3ccccc3)CC2)c(=O)[nH]c1C
InChIInChI=1S/C23H24N4O3/c1-14-18(15(2)28)12-19(22(29)25-14)23(30)27-10-8-17(9-11-27)21-20(13-24-26-21)16-6-4-3-5-7-16/h3-7,12-13,17H,8-11H2,1-2H3,(H,24,26)(H,25,29)
InChIKeySZGQYJANCCMLDC-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.30
Rot. Bonds4

About 5-acetyl-6-methyl-3-[4-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one

5-acetyl-6-methyl-3-[4-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 56758939) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 5-acetyl-6-methyl-3-[4-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-acetyl-6-methyl-3-[4-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID56758939
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name5-acetyl-6-methyl-3-[4-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCC(=O)c1cc(C(=O)N2CCC(c3[nH]ncc3-c3ccccc3)CC2)c(=O)[nH]c1C
InChIInChI=1S/C23H24N4O3/c1-14-18(15(2)28)12-19(22(29)25-14)23(30)27-10-8-17(9-11-27)21-20(13-24-26-21)16-6-4-3-5-7-16/h3-7,12-13,17H,8-11H2,1-2H3,(H,24,26)(H,25,29)
InChIKeySZGQYJANCCMLDC-UHFFFAOYSA-N
XLogP3.30
TPSA98.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-acetyl-6-methyl-3-[4-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(2-hydroxy-4-methylphenyl)-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 56752151
6-methyl-2-oxo-5-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyridine-3-carbonitrile
CID 95217243
(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 56745742
(2S)-2-hydroxy-1-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 95197316
3-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-6-methyl-5-phenyl-1H-pyridin-2-one
CID 167769575
(2,2-dimethyloxan-4-yl)-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 45210369
3-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 56759715
1-[5-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]ethanone
CID 56760118
1-ethyl-4-(4-phenyl-1H-pyrazol-5-yl)piperidine
CID 70765763
(2,6-dihydroxyphenyl)-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 56752335
2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-1-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 56745004
(3-fluoro-4-pyridinyl)-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 56748447

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-6-methyl-3-[4-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-acetyl-6-methyl-3-[4-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one (CID 56758939) is 5-acetyl-6-methyl-3-[4-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-acetyl-6-methyl-3-[4-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-acetyl-6-methyl-3-[4-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one is CC(=O)c1cc(C(=O)N2CCC(c3[nH]ncc3-c3ccccc3)CC2)c(=O)[nH]c1C.
What is the InChIKey of 5-acetyl-6-methyl-3-[4-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is SZGQYJANCCMLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-14-18(15(2)28)12-19(22(29)25-14)23(30)27-10-8-17(9-11-27)21-20(13-24-26-21)16-6-4-3-5-7-16/h3-7,12-13,17H,8-11H2,1-2H3,(H,24,26)(H,25,29).
What are the key properties of 5-acetyl-6-methyl-3-[4-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
5-acetyl-6-methyl-3-[4-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 404.47 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-6-methyl-3-[4-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 56758939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).