N-(1-adamantyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide

C24H29FN4O2 — CID 3295776

IUPACN-(1-adamantyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)N1CCCC(c2nc(-c3ccc(F)cc3)no2)C1
InChIInChI=1S/C24H29FN4O2/c25-20-5-3-18(4-6-20)21-26-22(31-28-21)19-2-1-7-29(14-19)23(30)27-24-11-15-8-16(12-24)10-17(9-15)13-24/h3-6,15-17,19H,1-2,7-14H2,(H,27,30)
InChIKeyJFVUSOLTQXWWER-UHFFFAOYSA-N
MW424.52 g/mol
LogP4.73
Rot. Bonds3

About N-(1-adamantyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide

N-(1-adamantyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide (PubChem CID 3295776) has the molecular formula C24H29FN4O2 and a molecular weight of 424.52 g/mol. Its IUPAC name is N-(1-adamantyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
PubChem CID3295776
Molecular FormulaC24H29FN4O2
Molecular Weight424.52 g/mol
Exact Mass424.23
IUPAC NameN-(1-adamantyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)N1CCCC(c2nc(-c3ccc(F)cc3)no2)C1
InChIInChI=1S/C24H29FN4O2/c25-20-5-3-18(4-6-20)21-26-22(31-28-21)19-2-1-7-29(14-19)23(30)27-24-11-15-8-16(12-24)10-17(9-15)13-24/h3-6,15-17,19H,1-2,7-14H2,(H,27,30)
InChIKeyJFVUSOLTQXWWER-UHFFFAOYSA-N
XLogP4.73
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-fluorophenyl)-[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone;sulfane
CID 160506516
(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-4-ylpiperidine-1-carboxamide
CID 52511029
(3R)-N-(4-chlorophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 1454055
(3S)-N-(4-chlorophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 1454054
(1-aminocyclohexyl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 119313769
2-cyclohexyl-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 6487204
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carboxamide
CID 47092633
2-(4-fluorophenyl)-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 66618684
[(3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 95277119
(4-fluorophenyl)-[(3R)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 1456768
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 68924485
(3R)-N-(2-chlorophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 1454056

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The IUPAC name of N-(1-adamantyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide (CID 3295776) is N-(1-adamantyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(1-adamantyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)N1CCCC(c2nc(-c3ccc(F)cc3)no2)C1.
What is the InChIKey of N-(1-adamantyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The InChIKey is JFVUSOLTQXWWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O2/c25-20-5-3-18(4-6-20)21-26-22(31-28-21)19-2-1-7-29(14-19)23(30)27-24-11-15-8-16(12-24)10-17(9-15)13-24/h3-6,15-17,19H,1-2,7-14H2,(H,27,30).
What are the key properties of N-(1-adamantyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
N-(1-adamantyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide has a molecular weight of 424.52 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 3295776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).