2-(2-methoxyphenyl)-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone

C18H23N3O2 — CID 96514522

IUPAC2-(2-methoxyphenyl)-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
SMILESCOc1ccccc1CC(=O)N1CCC[C@@H](c2cc(C)[nH]n2)C1
InChIInChI=1S/C18H23N3O2/c1-13-10-16(20-19-13)15-7-5-9-21(12-15)18(22)11-14-6-3-4-8-17(14)23-2/h3-4,6,8,10,15H,5,7,9,11-12H2,1-2H3,(H,19,20)/t15-/m1/s1
InChIKeyCBASFBPKCZLEKU-OAHLLOKOSA-N
MW313.40 g/mol
LogP2.68
Rot. Bonds4

About 2-(2-methoxyphenyl)-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone

2-(2-methoxyphenyl)-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone (PubChem CID 96514522) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
PubChem CID96514522
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-(2-methoxyphenyl)-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
SMILESCOc1ccccc1CC(=O)N1CCC[C@@H](c2cc(C)[nH]n2)C1
InChIInChI=1S/C18H23N3O2/c1-13-10-16(20-19-13)15-7-5-9-21(12-15)18(22)11-14-6-3-4-8-17(14)23-2/h3-4,6,8,10,15H,5,7,9,11-12H2,1-2H3,(H,19,20)/t15-/m1/s1
InChIKeyCBASFBPKCZLEKU-OAHLLOKOSA-N
XLogP2.68
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyphenyl)-1-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]ethanone
CID 124971378
(2,3-dimethoxyphenyl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 71926795
(3,5-dimethoxy-4-methylphenyl)-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 96514461
4-[(3R)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136819876
4-[1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136760277
2-(2,3-dihydro-1H-inden-5-yl)-1-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 96514421
1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-(2-phenoxyethoxy)ethanone
CID 97004347
1-[3-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 71926835
2-[benzyl(methyl)amino]-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 97069110
1-[3-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 96514400
N-[2-(methoxymethyl)phenyl]-2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide
CID 166183459
2-(2-methoxyphenyl)-1-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]ethanone
CID 110236396

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-methoxyphenyl)-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone (CID 96514522) is 2-(2-methoxyphenyl)-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-methoxyphenyl)-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone is COc1ccccc1CC(=O)N1CCC[C@@H](c2cc(C)[nH]n2)C1.
What is the InChIKey of 2-(2-methoxyphenyl)-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone?
The InChIKey is CBASFBPKCZLEKU-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13-10-16(20-19-13)15-7-5-9-21(12-15)18(22)11-14-6-3-4-8-17(14)23-2/h3-4,6,8,10,15H,5,7,9,11-12H2,1-2H3,(H,19,20)/t15-/m1/s1.
What are the key properties of 2-(2-methoxyphenyl)-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone?
2-(2-methoxyphenyl)-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone has a molecular weight of 313.40 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 96514522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).