[2-(methoxymethyl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone

C18H22N2O2S — CID 95762073

IUPAC[2-(methoxymethyl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCOCc1ccccc1C(=O)N1CCCC[C@@H]1c1nc(C)cs1
InChIInChI=1S/C18H22N2O2S/c1-13-12-23-17(19-13)16-9-5-6-10-20(16)18(21)15-8-4-3-7-14(15)11-22-2/h3-4,7-8,12,16H,5-6,9-11H2,1-2H3/t16-/m1/s1
InChIKeyBFXVUQKRISWBGG-MRXNPFEDSA-N
MW330.45 g/mol
LogP3.97
Rot. Bonds4

About [2-(methoxymethyl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone

[2-(methoxymethyl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 95762073) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is [2-(methoxymethyl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(methoxymethyl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID95762073
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name[2-(methoxymethyl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCOCc1ccccc1C(=O)N1CCCC[C@@H]1c1nc(C)cs1
InChIInChI=1S/C18H22N2O2S/c1-13-12-23-17(19-13)16-9-5-6-10-20(16)18(21)15-8-4-3-7-14(15)11-22-2/h3-4,7-8,12,16H,5-6,9-11H2,1-2H3/t16-/m1/s1
InChIKeyBFXVUQKRISWBGG-MRXNPFEDSA-N
XLogP3.97
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(fluoromethyl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 67514600
[4-(methoxymethyl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95762290
[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 95762306
(1,5-dimethylpyrazol-4-yl)-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95762332
(1-methylpyrrol-2-yl)-[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 86768314
(5-methylfuran-2-yl)-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95762285
(5-methylpyrazin-2-yl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95734995
1-[3-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 95762367
2-[cyclopropyl(methyl)amino]-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95780512
2,3-dihydrofuran-4-yl-[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 86768479
5-[2-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119126423
(5-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95313911

Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethyl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [2-(methoxymethyl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 95762073) is [2-(methoxymethyl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(methoxymethyl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(methoxymethyl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone is COCc1ccccc1C(=O)N1CCCC[C@@H]1c1nc(C)cs1.
What is the InChIKey of [2-(methoxymethyl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is BFXVUQKRISWBGG-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-13-12-23-17(19-13)16-9-5-6-10-20(16)18(21)15-8-4-3-7-14(15)11-22-2/h3-4,7-8,12,16H,5-6,9-11H2,1-2H3/t16-/m1/s1.
What are the key properties of [2-(methoxymethyl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
[2-(methoxymethyl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 330.45 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxymethyl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95762073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).