2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]acetamide

C23H33N3O2S — CID 86954866

IUPAC2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]acetamide
SMILESCOc1ccc(C2C(CNC(=O)Cc3csc(C(C)(C)C)n3)CCCN2C)cc1
InChIInChI=1S/C23H33N3O2S/c1-23(2,3)22-25-18(15-29-22)13-20(27)24-14-17-7-6-12-26(4)21(17)16-8-10-19(28-5)11-9-16/h8-11,15,17,21H,6-7,12-14H2,1-5H3,(H,24,27)
InChIKeyUKQFXBSIEJBYSA-UHFFFAOYSA-N
MW415.60 g/mol
LogP4.19
Rot. Bonds6

About 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]acetamide

2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]acetamide (PubChem CID 86954866) has the molecular formula C23H33N3O2S and a molecular weight of 415.60 g/mol. Its IUPAC name is 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]acetamide
PubChem CID86954866
Molecular FormulaC23H33N3O2S
Molecular Weight415.60 g/mol
Exact Mass415.23
IUPAC Name2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]acetamide
SMILESCOc1ccc(C2C(CNC(=O)Cc3csc(C(C)(C)C)n3)CCCN2C)cc1
InChIInChI=1S/C23H33N3O2S/c1-23(2,3)22-25-18(15-29-22)13-20(27)24-14-17-7-6-12-26(4)21(17)16-8-10-19(28-5)11-9-16/h8-11,15,17,21H,6-7,12-14H2,1-5H3,(H,24,27)
InChIKeyUKQFXBSIEJBYSA-UHFFFAOYSA-N
XLogP4.19
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.60
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methylamino]-4-oxobutyl]benzamide
CID 86954895
2-(5-methoxy-1H-indol-3-yl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]acetamide
CID 86954997
3-(4-fluorophenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]propanamide
CID 86954890
N-[[(2S,3S)-2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]piperidine-4-carboxamide
CID 124687962
1-(4-methoxyphenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]pyrazole-3-carboxamide
CID 86954875
2-ethylsulfonyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]benzamide
CID 86954891
N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-4-methylsulfinylbenzamide
CID 86958503
1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-methyl-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 111666313
N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 86954987
N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-2-methylsulfanylpyridine-4-carboxamide
CID 86954874
2-(4-fluorophenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 86955004
N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-3-pyridin-4-yloxybenzamide
CID 86954798

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]acetamide?
The IUPAC name of 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]acetamide (CID 86954866) is 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]acetamide is COc1ccc(C2C(CNC(=O)Cc3csc(C(C)(C)C)n3)CCCN2C)cc1.
What is the InChIKey of 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]acetamide?
The InChIKey is UKQFXBSIEJBYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2S/c1-23(2,3)22-25-18(15-29-22)13-20(27)24-14-17-7-6-12-26(4)21(17)16-8-10-19(28-5)11-9-16/h8-11,15,17,21H,6-7,12-14H2,1-5H3,(H,24,27).
What are the key properties of 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]acetamide?
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]acetamide has a molecular weight of 415.60 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 86954866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).