2-[(3S,4R)-3,4-dimethoxy-3-methylpiperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide

C20H27N3O3S — CID 166324263

IUPAC2-[(3S,4R)-3,4-dimethoxy-3-methylpiperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
SMILESCO[C@@H]1CCN(CC(=O)NC(c2ccccc2)c2nccs2)C[C@]1(C)OC
InChIInChI=1S/C20H27N3O3S/c1-20(26-3)14-23(11-9-16(20)25-2)13-17(24)22-18(19-21-10-12-27-19)15-7-5-4-6-8-15/h4-8,10,12,16,18H,9,11,13-14H2,1-3H3,(H,22,24)/t16-,18?,20+/m1/s1
InChIKeyWDEURUXYPUNIHY-OWLZILENSA-N
MW389.52 g/mol
LogP2.47
Rot. Bonds7

About 2-[(3S,4R)-3,4-dimethoxy-3-methylpiperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide

2-[(3S,4R)-3,4-dimethoxy-3-methylpiperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide (PubChem CID 166324263) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is 2-[(3S,4R)-3,4-dimethoxy-3-methylpiperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(3S,4R)-3,4-dimethoxy-3-methylpiperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
PubChem CID166324263
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name2-[(3S,4R)-3,4-dimethoxy-3-methylpiperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
SMILESCO[C@@H]1CCN(CC(=O)NC(c2ccccc2)c2nccs2)C[C@]1(C)OC
InChIInChI=1S/C20H27N3O3S/c1-20(26-3)14-23(11-9-16(20)25-2)13-17(24)22-18(19-21-10-12-27-19)15-7-5-4-6-8-15/h4-8,10,12,16,18H,9,11,13-14H2,1-3H3,(H,22,24)/t16-,18?,20+/m1/s1
InChIKeyWDEURUXYPUNIHY-OWLZILENSA-N
XLogP2.47
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxypiperidin-1-yl)-N-[(S)-phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 95142220
2-(4-phenylmethoxypiperidin-1-yl)-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 56541033
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 56540997
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 120775231
2-[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 56541158
N-[phenyl(1,3-thiazol-2-yl)methyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
CID 56541220
2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 138998762
2-[2-(2-phenylethyl)pyrrolidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 56571018
methyl 1-[2-oxo-2-[[phenyl(1,3-thiazol-2-yl)methyl]amino]ethyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
CID 56541229
2-[4-(4-cyanophenyl)-1,4-diazepan-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 56571081
2-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 98854382
methyl 1-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperidine-4-carboxylate
CID 8754741

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-3,4-dimethoxy-3-methylpiperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?
The IUPAC name of 2-[(3S,4R)-3,4-dimethoxy-3-methylpiperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide (CID 166324263) is 2-[(3S,4R)-3,4-dimethoxy-3-methylpiperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[(3S,4R)-3,4-dimethoxy-3-methylpiperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-[(3S,4R)-3,4-dimethoxy-3-methylpiperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide is CO[C@@H]1CCN(CC(=O)NC(c2ccccc2)c2nccs2)C[C@]1(C)OC.
What is the InChIKey of 2-[(3S,4R)-3,4-dimethoxy-3-methylpiperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?
The InChIKey is WDEURUXYPUNIHY-OWLZILENSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-20(26-3)14-23(11-9-16(20)25-2)13-17(24)22-18(19-21-10-12-27-19)15-7-5-4-6-8-15/h4-8,10,12,16,18H,9,11,13-14H2,1-3H3,(H,22,24)/t16-,18?,20+/m1/s1.
What are the key properties of 2-[(3S,4R)-3,4-dimethoxy-3-methylpiperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?
2-[(3S,4R)-3,4-dimethoxy-3-methylpiperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide has a molecular weight of 389.52 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4R)-3,4-dimethoxy-3-methylpiperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 166324263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).