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

C18H22N2O2S — CID 95779039

IUPAC[3-(methoxymethyl)phenyl]-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCOCc1cccc(C(=O)N2CCC[C@H](c3nc(C)cs3)C2)c1
InChIInChI=1S/C18H22N2O2S/c1-13-12-23-17(19-13)16-7-4-8-20(10-16)18(21)15-6-3-5-14(9-15)11-22-2/h3,5-6,9,12,16H,4,7-8,10-11H2,1-2H3/t16-/m0/s1
InChIKeyIEJOVERPKQVZOL-INIZCTEOSA-N
MW330.45 g/mol
LogP3.62
Rot. Bonds4

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

[3-(methoxymethyl)phenyl]-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 95779039) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is [3-(methoxymethyl)phenyl]-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(methoxymethyl)phenyl]-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID95779039
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name[3-(methoxymethyl)phenyl]-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCOCc1cccc(C(=O)N2CCC[C@H](c3nc(C)cs3)C2)c1
InChIInChI=1S/C18H22N2O2S/c1-13-12-23-17(19-13)16-7-4-8-20(10-16)18(21)15-6-3-5-14(9-15)11-22-2/h3,5-6,9,12,16H,4,7-8,10-11H2,1-2H3/t16-/m0/s1
InChIKeyIEJOVERPKQVZOL-INIZCTEOSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-(methoxymethyl)phenyl]-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[3-(methoxymethyl)phenyl]-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95779038
[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone
CID 95768025
[3-(methoxymethyl)phenyl]-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 125171560
3-[[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]benzoic acid
CID 122028920
4-[3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119183715
2-methoxy-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95051897
1-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-phenylmethoxyethanone
CID 95778905
4-[2-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]benzoic acid
CID 129470154
[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone
CID 124686638
3,9-diazabicyclo[4.2.1]nonan-3-yl-[3-(methoxymethyl)phenyl]methanone
CID 119639155
[(3R)-3-aminopyrrolidin-1-yl]-[3-(methoxymethyl)phenyl]methanone;hydrochloride
CID 119413252
azepan-1-yl-[1-[3-(methoxymethyl)benzoyl]piperidin-4-yl]methanone
CID 134029936

Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)phenyl]-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [3-(methoxymethyl)phenyl]-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 95779039) is [3-(methoxymethyl)phenyl]-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-(methoxymethyl)phenyl]-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [3-(methoxymethyl)phenyl]-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone is COCc1cccc(C(=O)N2CCC[C@H](c3nc(C)cs3)C2)c1.
What is the InChIKey of [3-(methoxymethyl)phenyl]-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is IEJOVERPKQVZOL-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-13-12-23-17(19-13)16-7-4-8-20(10-16)18(21)15-6-3-5-14(9-15)11-22-2/h3,5-6,9,12,16H,4,7-8,10-11H2,1-2H3/t16-/m0/s1.
What are the key properties of [3-(methoxymethyl)phenyl]-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
[3-(methoxymethyl)phenyl]-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 330.45 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethyl)phenyl]-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95779039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).