1-[5-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

C18H23FN4O3S — CID 120850233

IUPAC1-[5-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESNC1(c2noc(C3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)n2)CCCC1
InChIInChI=1S/C18H23FN4O3S/c19-14-5-7-15(8-6-14)27(24,25)23-11-3-4-13(12-23)16-21-17(22-26-16)18(20)9-1-2-10-18/h5-8,13H,1-4,9-12,20H2
InChIKeyWCHZWQWHYPUZMG-UHFFFAOYSA-N
MW394.47 g/mol
LogP2.51
Rot. Bonds4

About 1-[5-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

1-[5-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (PubChem CID 120850233) has the molecular formula C18H23FN4O3S and a molecular weight of 394.47 g/mol. Its IUPAC name is 1-[5-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[5-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
PubChem CID120850233
Molecular FormulaC18H23FN4O3S
Molecular Weight394.47 g/mol
Exact Mass394.15
IUPAC Name1-[5-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESNC1(c2noc(C3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)n2)CCCC1
InChIInChI=1S/C18H23FN4O3S/c19-14-5-7-15(8-6-14)27(24,25)23-11-3-4-13(12-23)16-21-17(22-26-16)18(20)9-1-2-10-18/h5-8,13H,1-4,9-12,20H2
InChIKeyWCHZWQWHYPUZMG-UHFFFAOYSA-N
XLogP2.51
TPSA102.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862177
1-[5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120861933
5-[1-(benzenesulfonyl)piperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 3225890
3-(4-fluorophenyl)-5-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 1453941
3-(4-fluorophenyl)-5-[(3S)-1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 92751745
3-(4-methylphenyl)-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 22424714
1-[5-(1-benzylpiperidin-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120852442
1-(4-fluorophenyl)sulfonyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]piperidine-3-carboxamide
CID 55621991
5-[(3S)-1-(3-chloro-4-methylphenyl)sulfonylpiperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 1453842
1-[5-[4-(azepan-1-ylsulfonyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851007
1-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
CID 55091396
1-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
CID 62589652

Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The IUPAC name of 1-[5-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (CID 120850233) is 1-[5-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[5-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[5-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is NC1(c2noc(C3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)n2)CCCC1.
What is the InChIKey of 1-[5-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The InChIKey is WCHZWQWHYPUZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O3S/c19-14-5-7-15(8-6-14)27(24,25)23-11-3-4-13(12-23)16-21-17(22-26-16)18(20)9-1-2-10-18/h5-8,13H,1-4,9-12,20H2.
What are the key properties of 1-[5-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
1-[5-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine has a molecular weight of 394.47 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is sourced from PubChem (CID 120850233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).