6-methyl-1-[3-oxo-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propyl]pyridin-2-one

C17H22N4O2 — CID 56740779

IUPAC6-methyl-1-[3-oxo-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propyl]pyridin-2-one
SMILESCc1cccc(=O)n1CCC(=O)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C17H22N4O2/c1-13-4-2-6-17(23)21(13)11-8-16(22)20-10-3-5-14(12-20)15-7-9-18-19-15/h2,4,6-7,9,14H,3,5,8,10-12H2,1H3,(H,18,19)
InChIKeyZEQXEZCTILMCIR-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.68
Rot. Bonds4

About 6-methyl-1-[3-oxo-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propyl]pyridin-2-one

6-methyl-1-[3-oxo-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propyl]pyridin-2-one (PubChem CID 56740779) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 6-methyl-1-[3-oxo-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propyl]pyridin-2-one.

Molecular Properties

Compound Name6-methyl-1-[3-oxo-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propyl]pyridin-2-one
PubChem CID56740779
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name6-methyl-1-[3-oxo-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propyl]pyridin-2-one
SMILESCc1cccc(=O)n1CCC(=O)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C17H22N4O2/c1-13-4-2-6-17(23)21(13)11-8-16(22)20-10-3-5-14(12-20)15-7-9-18-19-15/h2,4,6-7,9,14H,3,5,8,10-12H2,1H3,(H,18,19)
InChIKeyZEQXEZCTILMCIR-UHFFFAOYSA-N
XLogP1.68
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[3-oxo-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propyl]pyridin-2-one?
The IUPAC name of 6-methyl-1-[3-oxo-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propyl]pyridin-2-one (CID 56740779) is 6-methyl-1-[3-oxo-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propyl]pyridin-2-one.
What is the SMILES notation for 6-methyl-1-[3-oxo-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propyl]pyridin-2-one?
The canonical SMILES for 6-methyl-1-[3-oxo-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propyl]pyridin-2-one is Cc1cccc(=O)n1CCC(=O)N1CCCC(c2ccn[nH]2)C1.
What is the InChIKey of 6-methyl-1-[3-oxo-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propyl]pyridin-2-one?
The InChIKey is ZEQXEZCTILMCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-13-4-2-6-17(23)21(13)11-8-16(22)20-10-3-5-14(12-20)15-7-9-18-19-15/h2,4,6-7,9,14H,3,5,8,10-12H2,1H3,(H,18,19).
What are the key properties of 6-methyl-1-[3-oxo-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propyl]pyridin-2-one?
6-methyl-1-[3-oxo-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propyl]pyridin-2-one has a molecular weight of 314.39 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[3-oxo-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propyl]pyridin-2-one is sourced from PubChem (CID 56740779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).