1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N,N-dipropylpiperidine-3-carboxamide

C21H29FN4OS — CID 42775904

IUPAC1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N,N-dipropylpiperidine-3-carboxamide
SMILESCCCN(CCC)C(=O)C1CCCN(c2nc(Cc3ccc(F)cc3)ns2)C1
InChIInChI=1S/C21H29FN4OS/c1-3-11-25(12-4-2)20(27)17-6-5-13-26(15-17)21-23-19(24-28-21)14-16-7-9-18(22)10-8-16/h7-10,17H,3-6,11-15H2,1-2H3
InChIKeyNEUSFQZLDLWAMP-UHFFFAOYSA-N
MW404.56 g/mol
LogP4.13
Rot. Bonds8

About 1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N,N-dipropylpiperidine-3-carboxamide

1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N,N-dipropylpiperidine-3-carboxamide (PubChem CID 42775904) has the molecular formula C21H29FN4OS and a molecular weight of 404.56 g/mol. Its IUPAC name is 1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N,N-dipropylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N,N-dipropylpiperidine-3-carboxamide
PubChem CID42775904
Molecular FormulaC21H29FN4OS
Molecular Weight404.56 g/mol
Exact Mass404.20
IUPAC Name1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N,N-dipropylpiperidine-3-carboxamide
SMILESCCCN(CCC)C(=O)C1CCCN(c2nc(Cc3ccc(F)cc3)ns2)C1
InChIInChI=1S/C21H29FN4OS/c1-3-11-25(12-4-2)20(27)17-6-5-13-26(15-17)21-23-19(24-28-21)14-16-7-9-18(22)10-8-16/h7-10,17H,3-6,11-15H2,1-2H3
InChIKeyNEUSFQZLDLWAMP-UHFFFAOYSA-N
XLogP4.13
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-hexylpiperidine-3-carboxamide
CID 5131032
(3R)-N-(4-fluorophenyl)-1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide
CID 7288052
N-cyclopropyl-1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide
CID 3542472
(3S)-N-(4-fluorophenyl)-1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide
CID 7288049
(3S)-1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 7283455
(3R)-1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 7283452
1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(3-methylbutyl)piperidine-3-carboxamide
CID 4638004
1-(3-benzyl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxylic acid
CID 5236137
1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-4-carboxylic acid
CID 5243333
1-[4-[1-(3-benzyl-1,2,4-thiadiazol-5-yl)piperidine-3-carbonyl]piperazin-1-yl]ethanone
CID 3899521
1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-propylpiperidine-3-carboxamide
CID 4552243
[(3S)-1-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 7482379

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N,N-dipropylpiperidine-3-carboxamide?
The IUPAC name of 1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N,N-dipropylpiperidine-3-carboxamide (CID 42775904) is 1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N,N-dipropylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N,N-dipropylpiperidine-3-carboxamide?
The canonical SMILES for 1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N,N-dipropylpiperidine-3-carboxamide is CCCN(CCC)C(=O)C1CCCN(c2nc(Cc3ccc(F)cc3)ns2)C1.
What is the InChIKey of 1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N,N-dipropylpiperidine-3-carboxamide?
The InChIKey is NEUSFQZLDLWAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN4OS/c1-3-11-25(12-4-2)20(27)17-6-5-13-26(15-17)21-23-19(24-28-21)14-16-7-9-18(22)10-8-16/h7-10,17H,3-6,11-15H2,1-2H3.
What are the key properties of 1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N,N-dipropylpiperidine-3-carboxamide?
1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N,N-dipropylpiperidine-3-carboxamide has a molecular weight of 404.56 g/mol, XLogP of 4.13, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N,N-dipropylpiperidine-3-carboxamide is sourced from PubChem (CID 42775904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).