N-(5-methyl-1,3-thiazol-2-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide

C18H21N3O3S — CID 46409352

IUPACN-(5-methyl-1,3-thiazol-2-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
SMILESCc1cnc(NC(=O)C2CCN(C(=O)COc3ccccc3)CC2)s1
InChIInChI=1S/C18H21N3O3S/c1-13-11-19-18(25-13)20-17(23)14-7-9-21(10-8-14)16(22)12-24-15-5-3-2-4-6-15/h2-6,11,14H,7-10,12H2,1H3,(H,19,20,23)
InChIKeyWSEWRSFTUNACSH-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.71
Rot. Bonds5

About N-(5-methyl-1,3-thiazol-2-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide

N-(5-methyl-1,3-thiazol-2-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide (PubChem CID 46409352) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
PubChem CID46409352
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
SMILESCc1cnc(NC(=O)C2CCN(C(=O)COc3ccccc3)CC2)s1
InChIInChI=1S/C18H21N3O3S/c1-13-11-19-18(25-13)20-17(23)14-7-9-21(10-8-14)16(22)12-24-15-5-3-2-4-6-15/h2-6,11,14H,7-10,12H2,1H3,(H,19,20,23)
InChIKeyWSEWRSFTUNACSH-UHFFFAOYSA-N
XLogP2.71
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55630251
N-(4-acetamidophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631454
N-(1-methylpyrazol-4-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 32609867
N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 39011385
1-(2-phenoxyacetyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 55630273
N-(4-fluorophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631357
2-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119225453
N-(4-iodo-2-methylphenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631254
N-(5-methyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 3432578
N-butan-2-yl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 110673920
1-[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
CID 55630806
N-phenyl-1-[2-(4-propoxyphenoxy)acetyl]piperidine-4-carboxamide
CID 41499383

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide (CID 46409352) is N-(5-methyl-1,3-thiazol-2-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide is Cc1cnc(NC(=O)C2CCN(C(=O)COc3ccccc3)CC2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The InChIKey is WSEWRSFTUNACSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-13-11-19-18(25-13)20-17(23)14-7-9-21(10-8-14)16(22)12-24-15-5-3-2-4-6-15/h2-6,11,14H,7-10,12H2,1H3,(H,19,20,23).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
N-(5-methyl-1,3-thiazol-2-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 46409352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).