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

C19H24FN5O2 — CID 24791068

IUPAC[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone
SMILESCc1nonc1C(=O)N1CCCC(N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C19H24FN5O2/c1-14-18(22-27-21-14)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
InChIKeyJJBZZTBVPCPLGY-UHFFFAOYSA-N
MW373.43 g/mol
LogP1.94
Rot. Bonds3

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

[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone (PubChem CID 24791068) has the molecular formula C19H24FN5O2 and a molecular weight of 373.43 g/mol. Its IUPAC name is [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone.

Molecular Properties

Compound Name[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone
PubChem CID24791068
Molecular FormulaC19H24FN5O2
Molecular Weight373.43 g/mol
Exact Mass373.19
IUPAC Name[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone
SMILESCc1nonc1C(=O)N1CCCC(N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C19H24FN5O2/c1-14-18(22-27-21-14)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
InChIKeyJJBZZTBVPCPLGY-UHFFFAOYSA-N
XLogP1.94
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.94
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-methyl-1,2,5-oxadiazol-3-yl)methanone?
The IUPAC name of [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone (CID 24791068) is [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone.
What is the SMILES notation for [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone?
The canonical SMILES for [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone is Cc1nonc1C(=O)N1CCCC(N2CCN(c3ccc(F)cc3)CC2)C1.
What is the InChIKey of [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone?
The InChIKey is JJBZZTBVPCPLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O2/c1-14-18(22-27-21-14)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-methyl-1,2,5-oxadiazol-3-yl)methanone?
[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone has a molecular weight of 373.43 g/mol, XLogP of 1.94, 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-methyl-1,2,5-oxadiazol-3-yl)methanone is sourced from PubChem (CID 24791068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).