1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride

C19H24ClFN4O2 — CID 119766719

IUPAC1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride
SMILESCl.O=C(CC1CCCN1)N1CCCC(c2nc(-c3ccc(F)cc3)no2)C1
InChIInChI=1S/C19H23FN4O2.ClH/c20-15-7-5-13(6-8-15)18-22-19(26-23-18)14-3-2-10-24(12-14)17(25)11-16-4-1-9-21-16;/h5-8,14,16,21H,1-4,9-12H2;1H
InChIKeyFBEFNUNRBXTTAM-UHFFFAOYSA-N
MW394.88 g/mol
LogP3.15
Rot. Bonds4

About 1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride

1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride (PubChem CID 119766719) has the molecular formula C19H24ClFN4O2 and a molecular weight of 394.88 g/mol. Its IUPAC name is 1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride.

Molecular Properties

Compound Name1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride
PubChem CID119766719
Molecular FormulaC19H24ClFN4O2
Molecular Weight394.88 g/mol
Exact Mass394.16
IUPAC Name1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride
SMILESCl.O=C(CC1CCCN1)N1CCCC(c2nc(-c3ccc(F)cc3)no2)C1
InChIInChI=1S/C19H23FN4O2.ClH/c20-15-7-5-13(6-8-15)18-22-19(26-23-18)14-3-2-10-24(12-14)17(25)11-16-4-1-9-21-16;/h5-8,14,16,21H,1-4,9-12H2;1H
InChIKeyFBEFNUNRBXTTAM-UHFFFAOYSA-N
XLogP3.15
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclohexyl-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 6487204
2-(4-fluorophenyl)-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 66618684
4-amino-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 119313771
2-(2-fluorophenyl)-1-[(3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 95148946
(4-fluorophenyl)-[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone;sulfane
CID 160506516
6-amino-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]hexan-1-one
CID 3501836
3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981414
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120629924
2-ethyl-1-[(3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 1453889
(1-aminocyclohexyl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 119313769
2-amino-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pentan-1-one;hydrochloride
CID 119313764
[4-(aminomethyl)phenyl]-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone;hydrochloride
CID 119313758

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride?
The IUPAC name of 1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride (CID 119766719) is 1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride.
What is the SMILES notation for 1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride?
The canonical SMILES for 1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride is Cl.O=C(CC1CCCN1)N1CCCC(c2nc(-c3ccc(F)cc3)no2)C1.
What is the InChIKey of 1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride?
The InChIKey is FBEFNUNRBXTTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2.ClH/c20-15-7-5-13(6-8-15)18-22-19(26-23-18)14-3-2-10-24(12-14)17(25)11-16-4-1-9-21-16;/h5-8,14,16,21H,1-4,9-12H2;1H.
What are the key properties of 1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride?
1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride has a molecular weight of 394.88 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride is sourced from PubChem (CID 119766719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).