1-(2-ethoxyacetyl)-N-[[4-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide

C23H27N5O3S — CID 177213554

IUPAC1-(2-ethoxyacetyl)-N-[[4-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide
SMILESCCOCC(=O)N1CCCC(C(=O)NCc2nc(-c3ccc(-n4cccn4)cc3)cs2)C1
InChIInChI=1S/C23H27N5O3S/c1-2-31-15-22(29)27-11-3-5-18(14-27)23(30)24-13-21-26-20(16-32-21)17-6-8-19(9-7-17)28-12-4-10-25-28/h4,6-10,12,16,18H,2-3,5,11,13-15H2,1H3,(H,24,30)
InChIKeyWFDDYLHTFODJIF-UHFFFAOYSA-N
MW453.57 g/mol
LogP2.89
Rot. Bonds8

About 1-(2-ethoxyacetyl)-N-[[4-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide

1-(2-ethoxyacetyl)-N-[[4-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide (PubChem CID 177213554) has the molecular formula C23H27N5O3S and a molecular weight of 453.57 g/mol. Its IUPAC name is 1-(2-ethoxyacetyl)-N-[[4-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-ethoxyacetyl)-N-[[4-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide
PubChem CID177213554
Molecular FormulaC23H27N5O3S
Molecular Weight453.57 g/mol
Exact Mass453.18
IUPAC Name1-(2-ethoxyacetyl)-N-[[4-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide
SMILESCCOCC(=O)N1CCCC(C(=O)NCc2nc(-c3ccc(-n4cccn4)cc3)cs2)C1
InChIInChI=1S/C23H27N5O3S/c1-2-31-15-22(29)27-11-3-5-18(14-27)23(30)24-13-21-26-20(16-32-21)17-6-8-19(9-7-17)28-12-4-10-25-28/h4,6-10,12,16,18H,2-3,5,11,13-15H2,1H3,(H,24,30)
InChIKeyWFDDYLHTFODJIF-UHFFFAOYSA-N
XLogP2.89
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.57
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyacetyl)-N-[[4-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(2-ethoxyacetyl)-N-[[4-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide (CID 177213554) is 1-(2-ethoxyacetyl)-N-[[4-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-ethoxyacetyl)-N-[[4-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(2-ethoxyacetyl)-N-[[4-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide is CCOCC(=O)N1CCCC(C(=O)NCc2nc(-c3ccc(-n4cccn4)cc3)cs2)C1.
What is the InChIKey of 1-(2-ethoxyacetyl)-N-[[4-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide?
The InChIKey is WFDDYLHTFODJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3S/c1-2-31-15-22(29)27-11-3-5-18(14-27)23(30)24-13-21-26-20(16-32-21)17-6-8-19(9-7-17)28-12-4-10-25-28/h4,6-10,12,16,18H,2-3,5,11,13-15H2,1H3,(H,24,30).
What are the key properties of 1-(2-ethoxyacetyl)-N-[[4-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide?
1-(2-ethoxyacetyl)-N-[[4-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide has a molecular weight of 453.57 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyacetyl)-N-[[4-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 177213554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).