2-(4-ethoxyphenyl)-1-[(2S)-2-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)piperidin-1-yl]ethanone

C24H28N4O2 — CID 92593691

IUPAC2-(4-ethoxyphenyl)-1-[(2S)-2-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)piperidin-1-yl]ethanone
SMILESCCOc1ccc(CC(=O)N2CCCC[C@H]2c2nn(C)cc2-c2ccncc2)cc1
InChIInChI=1S/C24H28N4O2/c1-3-30-20-9-7-18(8-10-20)16-23(29)28-15-5-4-6-22(28)24-21(17-27(2)26-24)19-11-13-25-14-12-19/h7-14,17,22H,3-6,15-16H2,1-2H3/t22-/m0/s1
InChIKeyDQODULDTNBKZFI-QFIPXVFZSA-N
MW404.51 g/mol
LogP4.18
Rot. Bonds6

About 2-(4-ethoxyphenyl)-1-[(2S)-2-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)piperidin-1-yl]ethanone

2-(4-ethoxyphenyl)-1-[(2S)-2-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)piperidin-1-yl]ethanone (PubChem CID 92593691) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-1-[(2S)-2-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-1-[(2S)-2-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)piperidin-1-yl]ethanone
PubChem CID92593691
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name2-(4-ethoxyphenyl)-1-[(2S)-2-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)piperidin-1-yl]ethanone
SMILESCCOc1ccc(CC(=O)N2CCCC[C@H]2c2nn(C)cc2-c2ccncc2)cc1
InChIInChI=1S/C24H28N4O2/c1-3-30-20-9-7-18(8-10-20)16-23(29)28-15-5-4-6-22(28)24-21(17-27(2)26-24)19-11-13-25-14-12-19/h7-14,17,22H,3-6,15-16H2,1-2H3/t22-/m0/s1
InChIKeyDQODULDTNBKZFI-QFIPXVFZSA-N
XLogP4.18
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)piperidin-1-yl]-2-(4-methylsulfonylphenyl)ethanone
CID 110218029
2-(4-ethoxyphenyl)-1-[(2R)-2-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 92593696
2-(4-ethoxyphenyl)-1-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 92593684
2-(4-ethoxyphenyl)-1-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 92593685
2-(2-methoxyphenyl)-1-[(2S)-2-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)piperidin-1-yl]ethanone
CID 95850362
2-(4-ethoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 56825085
1-[(2R)-2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 92607197
2-(4-ethoxyphenyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 61408770
2-(4-ethoxyphenyl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 60742792
2-(4-ethoxyphenyl)-1-[(2R)-2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone
CID 92593704
2-[(2R)-1-[2-(4-ethoxyphenyl)acetyl]piperidin-2-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one
CID 135963720
1-[(2R)-2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 92593692

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-1-[(2S)-2-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-ethoxyphenyl)-1-[(2S)-2-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)piperidin-1-yl]ethanone (CID 92593691) is 2-(4-ethoxyphenyl)-1-[(2S)-2-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-ethoxyphenyl)-1-[(2S)-2-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-ethoxyphenyl)-1-[(2S)-2-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)piperidin-1-yl]ethanone is CCOc1ccc(CC(=O)N2CCCC[C@H]2c2nn(C)cc2-c2ccncc2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-1-[(2S)-2-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)piperidin-1-yl]ethanone?
The InChIKey is DQODULDTNBKZFI-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-3-30-20-9-7-18(8-10-20)16-23(29)28-15-5-4-6-22(28)24-21(17-27(2)26-24)19-11-13-25-14-12-19/h7-14,17,22H,3-6,15-16H2,1-2H3/t22-/m0/s1.
What are the key properties of 2-(4-ethoxyphenyl)-1-[(2S)-2-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)piperidin-1-yl]ethanone?
2-(4-ethoxyphenyl)-1-[(2S)-2-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)piperidin-1-yl]ethanone has a molecular weight of 404.51 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-1-[(2S)-2-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 92593691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).