N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide

C19H22N4O3S — CID 55630251

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
SMILESO=C(Nc1nnc(C2CC2)s1)C1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C19H22N4O3S/c24-16(12-26-15-4-2-1-3-5-15)23-10-8-13(9-11-23)17(25)20-19-22-21-18(27-19)14-6-7-14/h1-5,13-14H,6-12H2,(H,20,22,25)
InChIKeyTWNJRUUCTZOUML-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.67
Rot. Bonds6

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide (PubChem CID 55630251) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
PubChem CID55630251
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
SMILESO=C(Nc1nnc(C2CC2)s1)C1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C19H22N4O3S/c24-16(12-26-15-4-2-1-3-5-15)23-10-8-13(9-11-23)17(25)20-19-22-21-18(27-19)14-6-7-14/h1-5,13-14H,6-12H2,(H,20,22,25)
InChIKeyTWNJRUUCTZOUML-UHFFFAOYSA-N
XLogP2.67
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-methyl-1,3-thiazol-2-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 46409352
N-(4-acetamidophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631454
N-(4-fluorophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631357
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
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 7995236
N-(2-cyanophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 110673965
2-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119225453
1-(2-phenoxyacetyl)-N-quinolin-8-ylpiperidine-4-carboxamide
CID 113008372
1-(2-phenoxyacetyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 55630273
N-[4-(2-methoxyphenoxy)phenyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 46409832
N-butan-2-yl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 110673920

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide (CID 55630251) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide is O=C(Nc1nnc(C2CC2)s1)C1CCN(C(=O)COc2ccccc2)CC1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The InChIKey is TWNJRUUCTZOUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c24-16(12-26-15-4-2-1-3-5-15)23-10-8-13(9-11-23)17(25)20-19-22-21-18(27-19)14-6-7-14/h1-5,13-14H,6-12H2,(H,20,22,25).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide has a molecular weight of 386.48 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 55630251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).