4-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide

C22H23N5O3S — CID 92637775

IUPAC4-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide
SMILESO=C(Nc1nccs1)c1cncnc1CC1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C22H23N5O3S/c28-20(14-30-17-4-2-1-3-5-17)27-9-6-16(7-10-27)12-19-18(13-23-15-25-19)21(29)26-22-24-8-11-31-22/h1-5,8,11,13,15-16H,6-7,9-10,12,14H2,(H,24,26,29)
InChIKeyZQMWVKYIPIVWCL-UHFFFAOYSA-N
MW437.53 g/mol
LogP3.05
Rot. Bonds7

About 4-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide

4-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide (PubChem CID 92637775) has the molecular formula C22H23N5O3S and a molecular weight of 437.53 g/mol. Its IUPAC name is 4-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide
PubChem CID92637775
Molecular FormulaC22H23N5O3S
Molecular Weight437.53 g/mol
Exact Mass437.15
IUPAC Name4-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide
SMILESO=C(Nc1nccs1)c1cncnc1CC1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C22H23N5O3S/c28-20(14-30-17-4-2-1-3-5-17)27-9-6-16(7-10-27)12-19-18(13-23-15-25-19)21(29)26-22-24-8-11-31-22/h1-5,8,11,13,15-16H,6-7,9-10,12,14H2,(H,24,26,29)
InChIKeyZQMWVKYIPIVWCL-UHFFFAOYSA-N
XLogP3.05
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide with MolForge

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Related Compounds

5-cyclopropyl-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 39992666
2-[(3R)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 95812944
2-phenoxy-1-[4-(thiophene-2-carbonyl)piperidin-1-yl]ethanone
CID 110394361
1-[2-(4-bromophenoxy)acetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55810706
1-[2-(4-methoxyphenoxy)acetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55811121
4-[[1-(3-phenoxybenzoyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide
CID 92637681
N-(5-methyl-1,3-thiazol-2-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 46409352
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
2-phenoxy-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone
CID 110871172
1-[2-[4-(4-methylphenoxy)phenoxy]acetyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 55670197
3-[1-(1,3-thiazol-2-ylcarbamoyl)piperidin-4-yl]propanoic acid
CID 62217199
1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 740892

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide?
The IUPAC name of 4-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide (CID 92637775) is 4-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide is O=C(Nc1nccs1)c1cncnc1CC1CCN(C(=O)COc2ccccc2)CC1.
What is the InChIKey of 4-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide?
The InChIKey is ZQMWVKYIPIVWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3S/c28-20(14-30-17-4-2-1-3-5-17)27-9-6-16(7-10-27)12-19-18(13-23-15-25-19)21(29)26-22-24-8-11-31-22/h1-5,8,11,13,15-16H,6-7,9-10,12,14H2,(H,24,26,29).
What are the key properties of 4-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide?
4-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide has a molecular weight of 437.53 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 92637775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).