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

C23H26N4O2 — CID 95850362

IUPAC2-(2-methoxyphenyl)-1-[(2S)-2-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)piperidin-1-yl]ethanone
SMILESCOc1ccccc1CC(=O)N1CCCC[C@H]1c1nn(C)cc1-c1ccncc1
InChIInChI=1S/C23H26N4O2/c1-26-16-19(17-10-12-24-13-11-17)23(25-26)20-8-5-6-14-27(20)22(28)15-18-7-3-4-9-21(18)29-2/h3-4,7,9-13,16,20H,5-6,8,14-15H2,1-2H3/t20-/m0/s1
InChIKeySWHWLMFYWSVTQJ-FQEVSTJZSA-N
MW390.49 g/mol
LogP3.79
Rot. Bonds5

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

2-(2-methoxyphenyl)-1-[(2S)-2-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)piperidin-1-yl]ethanone (PubChem CID 95850362) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-[(2S)-2-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-[(2S)-2-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)piperidin-1-yl]ethanone
PubChem CID95850362
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name2-(2-methoxyphenyl)-1-[(2S)-2-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)piperidin-1-yl]ethanone
SMILESCOc1ccccc1CC(=O)N1CCCC[C@H]1c1nn(C)cc1-c1ccncc1
InChIInChI=1S/C23H26N4O2/c1-26-16-19(17-10-12-24-13-11-17)23(25-26)20-8-5-6-14-27(20)22(28)15-18-7-3-4-9-21(18)29-2/h3-4,7,9-13,16,20H,5-6,8,14-15H2,1-2H3/t20-/m0/s1
InChIKeySWHWLMFYWSVTQJ-FQEVSTJZSA-N
XLogP3.79
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyphenyl)-1-[(2S)-2-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-3-yl]pyrrolidin-1-yl]ethanone
CID 92566763
2-(4-ethoxyphenyl)-1-[(2S)-2-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)piperidin-1-yl]ethanone
CID 92593691
1-[2-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)piperidin-1-yl]-2-(4-methylsulfonylphenyl)ethanone
CID 110218029
2-(2-methoxyphenyl)-1-[(2S)-2-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 92563469
2-(2-methoxy-5-methylphenyl)-1-[(2R)-2-(2-propyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 92590445
(2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid
CID 79034352
2-(2,5-dimethoxyphenyl)-1-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 92594548
methyl (2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylate
CID 79835759
2-(2-fluorophenyl)-1-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 92572498
1-[2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 110218261
2-methoxy-1-[(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]ethanone
CID 92554252
2-(3-fluoro-4-methoxyphenyl)-1-[(2S)-2-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 92565278

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-[(2S)-2-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-methoxyphenyl)-1-[(2S)-2-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)piperidin-1-yl]ethanone (CID 95850362) is 2-(2-methoxyphenyl)-1-[(2S)-2-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-[(2S)-2-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-methoxyphenyl)-1-[(2S)-2-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)piperidin-1-yl]ethanone is COc1ccccc1CC(=O)N1CCCC[C@H]1c1nn(C)cc1-c1ccncc1.
What is the InChIKey of 2-(2-methoxyphenyl)-1-[(2S)-2-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)piperidin-1-yl]ethanone?
The InChIKey is SWHWLMFYWSVTQJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-26-16-19(17-10-12-24-13-11-17)23(25-26)20-8-5-6-14-27(20)22(28)15-18-7-3-4-9-21(18)29-2/h3-4,7,9-13,16,20H,5-6,8,14-15H2,1-2H3/t20-/m0/s1.
What are the key properties of 2-(2-methoxyphenyl)-1-[(2S)-2-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)piperidin-1-yl]ethanone?
2-(2-methoxyphenyl)-1-[(2S)-2-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)piperidin-1-yl]ethanone has a molecular weight of 390.49 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-[(2S)-2-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 95850362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).