1-butanoyl-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide

C21H27N3O3S — CID 55895483

IUPAC1-butanoyl-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCCCC(=O)N1CCC(C(=O)Nc2nc(-c3ccccc3OCC)cs2)CC1
InChIInChI=1S/C21H27N3O3S/c1-3-7-19(25)24-12-10-15(11-13-24)20(26)23-21-22-17(14-28-21)16-8-5-6-9-18(16)27-4-2/h5-6,8-9,14-15H,3-4,7,10-13H2,1-2H3,(H,22,23,26)
InChIKeyOYTDYQUGBKVLLI-UHFFFAOYSA-N
MW401.53 g/mol
LogP4.19
Rot. Bonds7

About 1-butanoyl-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide

1-butanoyl-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 55895483) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is 1-butanoyl-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-butanoyl-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
PubChem CID55895483
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC Name1-butanoyl-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCCCC(=O)N1CCC(C(=O)Nc2nc(-c3ccccc3OCC)cs2)CC1
InChIInChI=1S/C21H27N3O3S/c1-3-7-19(25)24-12-10-15(11-13-24)20(26)23-21-22-17(14-28-21)16-8-5-6-9-18(16)27-4-2/h5-6,8-9,14-15H,3-4,7,10-13H2,1-2H3,(H,22,23,26)
InChIKeyOYTDYQUGBKVLLI-UHFFFAOYSA-N
XLogP4.19
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 55660730
N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 39011385
1-(2,2-dimethylpropanoyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 55660589
2-chloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19194825
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 735075
1-(2-phenoxyacetyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 55630273
2,2-dichloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19194831
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 46409422
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 46409351
1-(3-phenoxypropanoyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55856174
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 19196964
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-propylphenoxy)acetamide
CID 19196497

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-butanoyl-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 55895483) is 1-butanoyl-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-butanoyl-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-butanoyl-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is CCCC(=O)N1CCC(C(=O)Nc2nc(-c3ccccc3OCC)cs2)CC1.
What is the InChIKey of 1-butanoyl-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is OYTDYQUGBKVLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-3-7-19(25)24-12-10-15(11-13-24)20(26)23-21-22-17(14-28-21)16-8-5-6-9-18(16)27-4-2/h5-6,8-9,14-15H,3-4,7,10-13H2,1-2H3,(H,22,23,26).
What are the key properties of 1-butanoyl-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
1-butanoyl-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 401.53 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 55895483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).