[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone

C19H24FN5OS — CID 24790903

IUPAC[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCCC(N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C19H24FN5OS/c1-14-18(27-22-21-14)19(26)25-8-2-3-17(13-25)24-11-9-23(10-12-24)16-6-4-15(20)5-7-16/h4-7,17H,2-3,8-13H2,1H3
InChIKeyDVINLIHXGUSZAB-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.41
Rot. Bonds3

About [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone

[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone (PubChem CID 24790903) has the molecular formula C19H24FN5OS and a molecular weight of 389.50 g/mol. Its IUPAC name is [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
PubChem CID24790903
Molecular FormulaC19H24FN5OS
Molecular Weight389.50 g/mol
Exact Mass389.17
IUPAC Name[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCCC(N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C19H24FN5OS/c1-14-18(27-22-21-14)19(26)25-8-2-3-17(13-25)24-11-9-23(10-12-24)16-6-4-15(20)5-7-16/h4-7,17H,2-3,8-13H2,1H3
InChIKeyDVINLIHXGUSZAB-UHFFFAOYSA-N
XLogP2.41
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The IUPAC name of [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone (CID 24790903) is [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone is Cc1nnsc1C(=O)N1CCCC(N2CCN(c3ccc(F)cc3)CC2)C1.
What is the InChIKey of [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is DVINLIHXGUSZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5OS/c1-14-18(27-22-21-14)19(26)25-8-2-3-17(13-25)24-11-9-23(10-12-24)16-6-4-15(20)5-7-16/h4-7,17H,2-3,8-13H2,1H3.
What are the key properties of [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 389.50 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 24790903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).