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

C19H24FN5O2 — CID 167772749

IUPAC[1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-piperazin-1-ylmethanone
SMILESO=C(C1CCN(c2nc(Cc3ccc(F)cc3)no2)CC1)N1CCNCC1
InChIInChI=1S/C19H24FN5O2/c20-16-3-1-14(2-4-16)13-17-22-19(27-23-17)25-9-5-15(6-10-25)18(26)24-11-7-21-8-12-24/h1-4,15,21H,5-13H2
InChIKeyGZJNRKVXUJOIRX-UHFFFAOYSA-N
MW373.43 g/mol
LogP1.45
Rot. Bonds4

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

[1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-piperazin-1-ylmethanone (PubChem CID 167772749) has the molecular formula C19H24FN5O2 and a molecular weight of 373.43 g/mol. Its IUPAC name is [1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-piperazin-1-ylmethanone
PubChem CID167772749
Molecular FormulaC19H24FN5O2
Molecular Weight373.43 g/mol
Exact Mass373.19
IUPAC Name[1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-piperazin-1-ylmethanone
SMILESO=C(C1CCN(c2nc(Cc3ccc(F)cc3)no2)CC1)N1CCNCC1
InChIInChI=1S/C19H24FN5O2/c20-16-3-1-14(2-4-16)13-17-22-19(27-23-17)25-9-5-15(6-10-25)18(26)24-11-7-21-8-12-24/h1-4,15,21H,5-13H2
InChIKeyGZJNRKVXUJOIRX-UHFFFAOYSA-N
XLogP1.45
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-piperazin-1-ylmethanone?
The IUPAC name of [1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-piperazin-1-ylmethanone (CID 167772749) is [1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-piperazin-1-ylmethanone is O=C(C1CCN(c2nc(Cc3ccc(F)cc3)no2)CC1)N1CCNCC1.
What is the InChIKey of [1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-piperazin-1-ylmethanone?
The InChIKey is GZJNRKVXUJOIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O2/c20-16-3-1-14(2-4-16)13-17-22-19(27-23-17)25-9-5-15(6-10-25)18(26)24-11-7-21-8-12-24/h1-4,15,21H,5-13H2.
What are the key properties of [1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-piperazin-1-ylmethanone?
[1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-piperazin-1-ylmethanone has a molecular weight of 373.43 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 167772749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).