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

C19H24FN5O2 — CID 120960207

IUPAC(4-fluorophenyl)-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCN1CCNCC1c1noc(C2CCCN(C(=O)c3ccc(F)cc3)C2)n1
InChIInChI=1S/C19H24FN5O2/c1-24-10-8-21-11-16(24)17-22-18(27-23-17)14-3-2-9-25(12-14)19(26)13-4-6-15(20)7-5-13/h4-7,14,16,21H,2-3,8-12H2,1H3
InChIKeyHHNDAXRMFOKUGS-UHFFFAOYSA-N
MW373.43 g/mol
LogP1.80
Rot. Bonds3

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

(4-fluorophenyl)-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (PubChem CID 120960207) has the molecular formula C19H24FN5O2 and a molecular weight of 373.43 g/mol. Its IUPAC name is (4-fluorophenyl)-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
PubChem CID120960207
Molecular FormulaC19H24FN5O2
Molecular Weight373.43 g/mol
Exact Mass373.19
IUPAC Name(4-fluorophenyl)-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCN1CCNCC1c1noc(C2CCCN(C(=O)c3ccc(F)cc3)C2)n1
InChIInChI=1S/C19H24FN5O2/c1-24-10-8-21-11-16(24)17-22-18(27-23-17)14-3-2-9-25(12-14)19(26)13-4-6-15(20)7-5-13/h4-7,14,16,21H,2-3,8-12H2,1H3
InChIKeyHHNDAXRMFOKUGS-UHFFFAOYSA-N
XLogP1.80
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 92569740
1-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 120956441
(4-fluorophenyl)-[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone;sulfane
CID 160506516
(4-fluorophenyl)-[(3R)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 1456768
(4-fluorophenyl)-[(3S)-3-[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 15948111
(4-fluorophenyl)-[3-[3-(1-methylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 68930307
(4-fluorophenyl)-[3-[3-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 59556423
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 3553771
[3-[5-(4,5-dihydro-1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 70986997
[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 3226114
[4-(aminomethyl)phenyl]-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone;hydrochloride
CID 119313758
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-quinoxalin-6-ylmethanone
CID 58066194

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (CID 120960207) is (4-fluorophenyl)-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is CN1CCNCC1c1noc(C2CCCN(C(=O)c3ccc(F)cc3)C2)n1.
What is the InChIKey of (4-fluorophenyl)-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is HHNDAXRMFOKUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O2/c1-24-10-8-21-11-16(24)17-22-18(27-23-17)14-3-2-9-25(12-14)19(26)13-4-6-15(20)7-5-13/h4-7,14,16,21H,2-3,8-12H2,1H3.
What are the key properties of (4-fluorophenyl)-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
(4-fluorophenyl)-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 373.43 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 120960207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).