1-[(3S)-3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone

C19H24N2O3 — CID 95906930

IUPAC1-[(3S)-3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone
SMILESCOc1ccccc1C[C@@H]1CCCN(C(=O)Cc2cc(C)on2)C1
InChIInChI=1S/C19H24N2O3/c1-14-10-17(20-24-14)12-19(22)21-9-5-6-15(13-21)11-16-7-3-4-8-18(16)23-2/h3-4,7-8,10,15H,5-6,9,11-13H2,1-2H3/t15-/m0/s1
InChIKeyIKJRFYSKUQQKAH-HNNXBMFYSA-N
MW328.41 g/mol
LogP3.02
Rot. Bonds5

About 1-[(3S)-3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone

1-[(3S)-3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone (PubChem CID 95906930) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-[(3S)-3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone.

Molecular Properties

Compound Name1-[(3S)-3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone
PubChem CID95906930
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-[(3S)-3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone
SMILESCOc1ccccc1C[C@@H]1CCCN(C(=O)Cc2cc(C)on2)C1
InChIInChI=1S/C19H24N2O3/c1-14-10-17(20-24-14)12-19(22)21-9-5-6-15(13-21)11-16-7-3-4-8-18(16)23-2/h3-4,7-8,10,15H,5-6,9,11-13H2,1-2H3/t15-/m0/s1
InChIKeyIKJRFYSKUQQKAH-HNNXBMFYSA-N
XLogP3.02
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(3S)-3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone with MolForge

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Related Compounds

1-[3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone
CID 75375614
2-(2-methoxyphenyl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 175652372
1-[3-(2-aminoethyl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 63765744
[(3S)-3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 95174843
[(3S)-3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 95174845
1-[4-[1-(2-methoxyphenyl)ethyl]piperazin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone
CID 75375628
3-[(3S)-1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]propanoic acid
CID 124685255
2-(2-methoxyphenyl)-1-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 110113252
[(3S)-3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-[(2S)-6-oxaspiro[2.5]octan-2-yl]methanone
CID 97220931
1-[(3R)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone
CID 97343688
2-(3,4-dimethoxyphenyl)-1-[3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone
CID 90641908
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 81469940

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone?
The IUPAC name of 1-[(3S)-3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone (CID 95906930) is 1-[(3S)-3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone.
What is the SMILES notation for 1-[(3S)-3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone?
The canonical SMILES for 1-[(3S)-3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone is COc1ccccc1C[C@@H]1CCCN(C(=O)Cc2cc(C)on2)C1.
What is the InChIKey of 1-[(3S)-3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone?
The InChIKey is IKJRFYSKUQQKAH-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-14-10-17(20-24-14)12-19(22)21-9-5-6-15(13-21)11-16-7-3-4-8-18(16)23-2/h3-4,7-8,10,15H,5-6,9,11-13H2,1-2H3/t15-/m0/s1.
What are the key properties of 1-[(3S)-3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone?
1-[(3S)-3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone has a molecular weight of 328.41 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone is sourced from PubChem (CID 95906930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).