1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one

C16H26N4O2 — CID 120852449

IUPAC1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCCCC1c1nc(C2(N)CCCC2)no1
InChIInChI=1S/C16H26N4O2/c1-2-7-13(21)20-11-6-3-8-12(20)14-18-15(19-22-14)16(17)9-4-5-10-16/h12H,2-11,17H2,1H3
InChIKeyAJJHEWQJKVTYTA-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.65
Rot. Bonds4

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

1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one (PubChem CID 120852449) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
PubChem CID120852449
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCCCC1c1nc(C2(N)CCCC2)no1
InChIInChI=1S/C16H26N4O2/c1-2-7-13(21)20-11-6-3-8-12(20)14-18-15(19-22-14)16(17)9-4-5-10-16/h12H,2-11,17H2,1H3
InChIKeyAJJHEWQJKVTYTA-UHFFFAOYSA-N
XLogP2.65
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]butan-1-one
CID 120856196
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 90564067
1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 120853388
1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone;hydrochloride
CID 120856245
1-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 120856198
1-[5-(1-propylsulfonylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855240
1-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 120863736
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 53338089
1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-methoxyethanone
CID 56728217
[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(2,4-dimethoxyphenyl)methanone;hydrochloride
CID 120863563
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-4-piperidin-1-ylbutan-1-one
CID 72924183
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 90564068

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one (CID 120852449) is 1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one is CCCC(=O)N1CCCCC1c1nc(C2(N)CCCC2)no1.
What is the InChIKey of 1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one?
The InChIKey is AJJHEWQJKVTYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-2-7-13(21)20-11-6-3-8-12(20)14-18-15(19-22-14)16(17)9-4-5-10-16/h12H,2-11,17H2,1H3.
What are the key properties of 1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one?
1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one has a molecular weight of 306.41 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 120852449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).