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

C15H15FN4O2S — CID 29370440

IUPAC(3R)-1-(4-fluorobenzoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nncs1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C15H15FN4O2S/c16-12-5-3-10(4-6-12)14(22)20-7-1-2-11(8-20)13(21)18-15-19-17-9-23-15/h3-6,9,11H,1-2,7-8H2,(H,18,19,21)/t11-/m1/s1
InChIKeyNZKSPYMSBOJOGM-LLVKDONJSA-N
MW334.38 g/mol
LogP2.17
Rot. Bonds3

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

(3R)-1-(4-fluorobenzoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (PubChem CID 29370440) has the molecular formula C15H15FN4O2S and a molecular weight of 334.38 g/mol. Its IUPAC name is (3R)-1-(4-fluorobenzoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-fluorobenzoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
PubChem CID29370440
Molecular FormulaC15H15FN4O2S
Molecular Weight334.38 g/mol
Exact Mass334.09
IUPAC Name(3R)-1-(4-fluorobenzoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nncs1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C15H15FN4O2S/c16-12-5-3-10(4-6-12)14(22)20-7-1-2-11(8-20)13(21)18-15-19-17-9-23-15/h3-6,9,11H,1-2,7-8H2,(H,18,19,21)/t11-/m1/s1
InChIKeyNZKSPYMSBOJOGM-LLVKDONJSA-N
XLogP2.17
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 18275497
1-(4-fluorobenzoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 18103517
(3R)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 40792019
1-(4-fluorobenzoyl)piperidine-3-carbohydrazide
CID 54793956
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
methyl 3-(1,3,4-thiadiazol-2-ylcarbamoyl)piperidine-1-carboxylate
CID 60556816
N-(2,4-difluorophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51272463
1-(1H-indazole-3-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 170858636
(3S)-1-(4-fluorobenzoyl)-N-(3-hydroxy-2-pyridinyl)piperidine-3-carboxamide
CID 30162435
(3R)-1-(4-fluorobenzoyl)-N-(3-hydroxy-2-pyridinyl)piperidine-3-carboxamide
CID 30162433
(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 68704612
1-[2-(2-fluorophenyl)acetyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 47050306

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-fluorobenzoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-fluorobenzoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (CID 29370440) is (3R)-1-(4-fluorobenzoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-fluorobenzoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-fluorobenzoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is O=C(Nc1nncs1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of (3R)-1-(4-fluorobenzoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is NZKSPYMSBOJOGM-LLVKDONJSA-N. The full InChI is InChI=1S/C15H15FN4O2S/c16-12-5-3-10(4-6-12)14(22)20-7-1-2-11(8-20)13(21)18-15-19-17-9-23-15/h3-6,9,11H,1-2,7-8H2,(H,18,19,21)/t11-/m1/s1.
What are the key properties of (3R)-1-(4-fluorobenzoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
(3R)-1-(4-fluorobenzoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-fluorobenzoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 29370440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).