1-[2-(2-fluorophenyl)acetyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

C16H17FN4O2S — CID 47050306

IUPAC1-[2-(2-fluorophenyl)acetyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nncs1)C1CCCN(C(=O)Cc2ccccc2F)C1
InChIInChI=1S/C16H17FN4O2S/c17-13-6-2-1-4-11(13)8-14(22)21-7-3-5-12(9-21)15(23)19-16-20-18-10-24-16/h1-2,4,6,10,12H,3,5,7-9H2,(H,19,20,23)
InChIKeyGAMKHLIVFUYQGL-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.10
Rot. Bonds4

About 1-[2-(2-fluorophenyl)acetyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

1-[2-(2-fluorophenyl)acetyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (PubChem CID 47050306) has the molecular formula C16H17FN4O2S and a molecular weight of 348.40 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)acetyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)acetyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
PubChem CID47050306
Molecular FormulaC16H17FN4O2S
Molecular Weight348.40 g/mol
Exact Mass348.11
IUPAC Name1-[2-(2-fluorophenyl)acetyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nncs1)C1CCCN(C(=O)Cc2ccccc2F)C1
InChIInChI=1S/C16H17FN4O2S/c17-13-6-2-1-4-11(13)8-14(22)21-7-3-5-12(9-21)15(23)19-16-20-18-10-24-16/h1-2,4,6,10,12H,3,5,7-9H2,(H,19,20,23)
InChIKeyGAMKHLIVFUYQGL-UHFFFAOYSA-N
XLogP2.10
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(4-fluorobenzoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 29370440
(3R)-1-N-(pyridin-2-ylmethyl)-3-N-(1,3,4-thiadiazol-2-yl)piperidine-1,3-dicarboxamide
CID 95636192
methyl 3-(1,3,4-thiadiazol-2-ylcarbamoyl)piperidine-1-carboxylate
CID 60556816
1-[3-(1-phenylpyrazol-4-yl)propanoyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 47049899
(3R)-1-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 98723373
1-(1H-indazole-3-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 170858636
(3R)-1-[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 51962711
1-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 47049895
(3S)-1-[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 51962353
1-(2,2-dichloro-1-methylcyclopropanecarbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 51118916
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55993442
1-[3-(chloromethyl)piperidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 63393016

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)acetyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-[2-(2-fluorophenyl)acetyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (CID 47050306) is 1-[2-(2-fluorophenyl)acetyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(2-fluorophenyl)acetyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(2-fluorophenyl)acetyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is O=C(Nc1nncs1)C1CCCN(C(=O)Cc2ccccc2F)C1.
What is the InChIKey of 1-[2-(2-fluorophenyl)acetyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is GAMKHLIVFUYQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2S/c17-13-6-2-1-4-11(13)8-14(22)21-7-3-5-12(9-21)15(23)19-16-20-18-10-24-16/h1-2,4,6,10,12H,3,5,7-9H2,(H,19,20,23).
What are the key properties of 1-[2-(2-fluorophenyl)acetyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
1-[2-(2-fluorophenyl)acetyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)acetyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 47050306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).