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

C16H26N4O2 — CID 120853388

IUPAC1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(c2nc(C3(N)CCCC3)no2)CC1
InChIInChI=1S/C16H26N4O2/c1-2-5-13(21)20-10-6-12(7-11-20)14-18-15(19-22-14)16(17)8-3-4-9-16/h12H,2-11,17H2,1H3
InChIKeyCNEPQSIWWFIYFE-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.30
Rot. Bonds4

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

1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one (PubChem CID 120853388) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
PubChem CID120853388
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(c2nc(C3(N)CCCC3)no2)CC1
InChIInChI=1S/C16H26N4O2/c1-2-5-13(21)20-10-6-12(7-11-20)14-18-15(19-22-14)16(17)8-3-4-9-16/h12H,2-11,17H2,1H3
InChIKeyCNEPQSIWWFIYFE-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one (CID 120853388) is 1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one is CCCC(=O)N1CCC(c2nc(C3(N)CCCC3)no2)CC1.
What is the InChIKey of 1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one?
The InChIKey is CNEPQSIWWFIYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-2-5-13(21)20-10-6-12(7-11-20)14-18-15(19-22-14)16(17)8-3-4-9-16/h12H,2-11,17H2,1H3.
What are the key properties of 1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one?
1-[4-[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 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 120853388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).