N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide

C21H25FN4O2S — CID 18275497

IUPACN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
SMILESO=C(Nc1nnc(C2CCCCC2)s1)C1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C21H25FN4O2S/c22-17-10-8-15(9-11-17)20(28)26-12-4-7-16(13-26)18(27)23-21-25-24-19(29-21)14-5-2-1-3-6-14/h8-11,14,16H,1-7,12-13H2,(H,23,25,27)
InChIKeyXEAOIYJWTYAKIQ-UHFFFAOYSA-N
MW416.52 g/mol
LogP4.22
Rot. Bonds4

About N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide (PubChem CID 18275497) has the molecular formula C21H25FN4O2S and a molecular weight of 416.52 g/mol. Its IUPAC name is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
PubChem CID18275497
Molecular FormulaC21H25FN4O2S
Molecular Weight416.52 g/mol
Exact Mass416.17
IUPAC NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
SMILESO=C(Nc1nnc(C2CCCCC2)s1)C1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C21H25FN4O2S/c22-17-10-8-15(9-11-17)20(28)26-12-4-7-16(13-26)18(27)23-21-25-24-19(29-21)14-5-2-1-3-6-14/h8-11,14,16H,1-7,12-13H2,(H,23,25,27)
InChIKeyXEAOIYJWTYAKIQ-UHFFFAOYSA-N
XLogP4.22
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorobenzoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 18103517
(3R)-1-(4-fluorobenzoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 29370440
1-(4-chlorobenzoyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 17119295
(3S)-1-(4-fluorobenzoyl)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
CID 40804440
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 27297656
(3R)-N-cyclopentyl-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 25392682
1-(4-fluorobenzoyl)piperidine-3-carbohydrazide
CID 54793956
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
N-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]formamide
CID 174516227
(3R)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 40792019
N-(2,4-difluorophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51272463
N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 55461843

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide (CID 18275497) is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide is O=C(Nc1nnc(C2CCCCC2)s1)C1CCCN(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
The InChIKey is XEAOIYJWTYAKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2S/c22-17-10-8-15(9-11-17)20(28)26-12-4-7-16(13-26)18(27)23-21-25-24-19(29-21)14-5-2-1-3-6-14/h8-11,14,16H,1-7,12-13H2,(H,23,25,27).
What are the key properties of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide has a molecular weight of 416.52 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 18275497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).