[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone

C20H26N4O2 — CID 120856946

IUPAC[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCCC(c3nc(C4(N)CCCC4)no3)C2)cc1
InChIInChI=1S/C20H26N4O2/c1-14-6-8-15(9-7-14)18(25)24-12-4-5-16(13-24)17-22-19(23-26-17)20(21)10-2-3-11-20/h6-9,16H,2-5,10-13,21H2,1H3
InChIKeyZFAPEKPZFXVKIJ-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.13
Rot. Bonds3

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

[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone (PubChem CID 120856946) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is [3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone
PubChem CID120856946
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCCC(c3nc(C4(N)CCCC4)no3)C2)cc1
InChIInChI=1S/C20H26N4O2/c1-14-6-8-15(9-7-14)18(25)24-12-4-5-16(13-24)17-22-19(23-26-17)20(21)10-2-3-11-20/h6-9,16H,2-5,10-13,21H2,1H3
InChIKeyZFAPEKPZFXVKIJ-UHFFFAOYSA-N
XLogP3.13
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 120856198
[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-phenylmethanone
CID 120852061
(4-fluorophenyl)-[(3R)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 1456768
[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 3226314
[(3R)-3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 1457622
1-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 120854425
3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)piperidine-1-carboxamide
CID 120862894
1-[5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862177
3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride
CID 120853614
[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 47061019
[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 4037209
(4-methylphenyl)-[(3R)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 1457150

Frequently Asked Questions

What is the IUPAC name of [3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone (CID 120856946) is [3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCCC(c3nc(C4(N)CCCC4)no3)C2)cc1.
What is the InChIKey of [3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone?
The InChIKey is ZFAPEKPZFXVKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-14-6-8-15(9-7-14)18(25)24-12-4-5-16(13-24)17-22-19(23-26-17)20(21)10-2-3-11-20/h6-9,16H,2-5,10-13,21H2,1H3.
What are the key properties of [3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone?
[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone has a molecular weight of 354.45 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 120856946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).