1-(4-fluorobenzoyl)-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

C24H25FN4O2S — CID 17224045

IUPAC1-(4-fluorobenzoyl)-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
SMILESO=C(Nc1nnc(CCCc2ccccc2)s1)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H25FN4O2S/c25-20-11-9-19(10-12-20)23(31)29-15-13-18(14-16-29)22(30)26-24-28-27-21(32-24)8-4-7-17-5-2-1-3-6-17/h1-3,5-6,9-12,18H,4,7-8,13-16H2,(H,26,28,30)
InChIKeyYKELWHUPFZSUKK-UHFFFAOYSA-N
MW452.56 g/mol
LogP4.34
Rot. Bonds7

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

1-(4-fluorobenzoyl)-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide (PubChem CID 17224045) has the molecular formula C24H25FN4O2S and a molecular weight of 452.56 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
PubChem CID17224045
Molecular FormulaC24H25FN4O2S
Molecular Weight452.56 g/mol
Exact Mass452.17
IUPAC Name1-(4-fluorobenzoyl)-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
SMILESO=C(Nc1nnc(CCCc2ccccc2)s1)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H25FN4O2S/c25-20-11-9-19(10-12-20)23(31)29-15-13-18(14-16-29)22(30)26-24-28-27-21(32-24)8-4-7-17-5-2-1-3-6-17/h1-3,5-6,9-12,18H,4,7-8,13-16H2,(H,26,28,30)
InChIKeyYKELWHUPFZSUKK-UHFFFAOYSA-N
XLogP4.34
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylbenzoyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 134704833
N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224187
1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 17118838
1-(4-chlorobenzoyl)-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 17119367
1-benzoyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 136524415
1-benzoyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 17018978
(3S)-1-cyclopentyl-5-oxo-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 7438452
ethyl 2-[[5-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 43008061
1-[(4-fluorophenyl)methyl]-5-oxo-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 42655677
4-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 56920172
N-[5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 6497508
1-N,1-N-dimethyl-3-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]piperidine-1,3-dicarboxamide
CID 56921075

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-fluorobenzoyl)-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide (CID 17224045) is 1-(4-fluorobenzoyl)-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorobenzoyl)-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-fluorobenzoyl)-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide is O=C(Nc1nnc(CCCc2ccccc2)s1)C1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorobenzoyl)-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is YKELWHUPFZSUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O2S/c25-20-11-9-19(10-12-20)23(31)29-15-13-18(14-16-29)22(30)26-24-28-27-21(32-24)8-4-7-17-5-2-1-3-6-17/h1-3,5-6,9-12,18H,4,7-8,13-16H2,(H,26,28,30).
What are the key properties of 1-(4-fluorobenzoyl)-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
1-(4-fluorobenzoyl)-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 452.56 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 17224045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).