2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]acetamide

C23H31N3O3S — CID 56569123

IUPAC2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]acetamide
SMILESCOc1ccc(-c2nc(CC(=O)NC3CCN(CC=C(C)C)CC3)cs2)cc1OC
InChIInChI=1S/C23H31N3O3S/c1-16(2)7-10-26-11-8-18(9-12-26)24-22(27)14-19-15-30-23(25-19)17-5-6-20(28-3)21(13-17)29-4/h5-7,13,15,18H,8-12,14H2,1-4H3,(H,24,27)
InChIKeyOVTCZXPEFJKBPS-UHFFFAOYSA-N
MW429.59 g/mol
LogP3.92
Rot. Bonds8

About 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]acetamide

2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]acetamide (PubChem CID 56569123) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]acetamide
PubChem CID56569123
Molecular FormulaC23H31N3O3S
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC Name2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]acetamide
SMILESCOc1ccc(-c2nc(CC(=O)NC3CCN(CC=C(C)C)CC3)cs2)cc1OC
InChIInChI=1S/C23H31N3O3S/c1-16(2)7-10-26-11-8-18(9-12-26)24-22(27)14-19-15-30-23(25-19)17-5-6-20(28-3)21(13-17)29-4/h5-7,13,15,18H,8-12,14H2,1-4H3,(H,24,27)
InChIKeyOVTCZXPEFJKBPS-UHFFFAOYSA-N
XLogP3.92
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-hydroxycyclohexyl)acetamide
CID 78767639
N-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 4823194
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(2-methylpiperidin-4-yl)acetamide
CID 120601835
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride
CID 120601834
N-cyclopropyl-2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]acetamide
CID 8909934
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 40789617
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]acetamide
CID 112819934
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide
CID 120557506
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride
CID 120557505
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 46807153
2-(3,4-dimethoxyphenyl)-N-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 24633525
N-benzyl-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 8713252

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]acetamide (CID 56569123) is 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]acetamide is COc1ccc(-c2nc(CC(=O)NC3CCN(CC=C(C)C)CC3)cs2)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]acetamide?
The InChIKey is OVTCZXPEFJKBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-16(2)7-10-26-11-8-18(9-12-26)24-22(27)14-19-15-30-23(25-19)17-5-6-20(28-3)21(13-17)29-4/h5-7,13,15,18H,8-12,14H2,1-4H3,(H,24,27).
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]acetamide?
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]acetamide has a molecular weight of 429.59 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 56569123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).