[4-(4-fluorophenyl)piperazin-1-yl]-[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone

C22H25FN6OS — CID 20889387

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2nnc(-n3cccc3)s2)CC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H25FN6OS/c23-18-3-5-19(6-4-18)26-13-15-27(16-14-26)20(30)17-7-11-29(12-8-17)22-25-24-21(31-22)28-9-1-2-10-28/h1-6,9-10,17H,7-8,11-16H2
InChIKeySFBQUFMENXEVGX-UHFFFAOYSA-N
MW440.55 g/mol
LogP3.03
Rot. Bonds4

About [4-(4-fluorophenyl)piperazin-1-yl]-[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone

[4-(4-fluorophenyl)piperazin-1-yl]-[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone (PubChem CID 20889387) has the molecular formula C22H25FN6OS and a molecular weight of 440.55 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone
PubChem CID20889387
Molecular FormulaC22H25FN6OS
Molecular Weight440.55 g/mol
Exact Mass440.18
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2nnc(-n3cccc3)s2)CC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H25FN6OS/c23-18-3-5-19(6-4-18)26-13-15-27(16-14-26)20(30)17-7-11-29(12-8-17)22-25-24-21(31-22)28-9-1-2-10-28/h1-6,9-10,17H,7-8,11-16H2
InChIKeySFBQUFMENXEVGX-UHFFFAOYSA-N
XLogP3.03
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 3240265
[4-(4-fluorophenyl)piperazin-1-yl]-(1-phenylpiperidin-4-yl)methanone
CID 17152277
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(2-fluorophenyl)piperidin-4-yl]methanone
CID 17152590
1-[5-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one
CID 22513361
[1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 133466002
[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 90609862
N-cyclopentyl-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 20885945
[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 72839491
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone
CID 113004957
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methylbenzoyl)piperidin-4-yl]methanone
CID 126023047
[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 45014849
N-(4-fluorophenyl)-2-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]acetamide
CID 16809605

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone (CID 20889387) is [4-(4-fluorophenyl)piperazin-1-yl]-[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone is O=C(C1CCN(c2nnc(-n3cccc3)s2)CC1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone?
The InChIKey is SFBQUFMENXEVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6OS/c23-18-3-5-19(6-4-18)26-13-15-27(16-14-26)20(30)17-7-11-29(12-8-17)22-25-24-21(31-22)28-9-1-2-10-28/h1-6,9-10,17H,7-8,11-16H2.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone has a molecular weight of 440.55 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 20889387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).