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

C18H30N4O2 — CID 56718197

IUPAC1-[4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylamino]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(NCc2nc(C3CCCCC3)no2)CC1
InChIInChI=1S/C18H30N4O2/c1-2-6-17(23)22-11-9-15(10-12-22)19-13-16-20-18(21-24-16)14-7-4-3-5-8-14/h14-15,19H,2-13H2,1H3
InChIKeyPKHYVAUUQPZCAG-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.00
Rot. Bonds6

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

1-[4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylamino]piperidin-1-yl]butan-1-one (PubChem CID 56718197) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-[4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylamino]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylamino]piperidin-1-yl]butan-1-one
PubChem CID56718197
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name1-[4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylamino]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(NCc2nc(C3CCCCC3)no2)CC1
InChIInChI=1S/C18H30N4O2/c1-2-6-17(23)22-11-9-15(10-12-22)19-13-16-20-18(21-24-16)14-7-4-3-5-8-14/h14-15,19H,2-13H2,1H3
InChIKeyPKHYVAUUQPZCAG-UHFFFAOYSA-N
XLogP3.00
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylamino]piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylamino]piperidin-1-yl]butan-1-one (CID 56718197) is 1-[4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylamino]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylamino]piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylamino]piperidin-1-yl]butan-1-one is CCCC(=O)N1CCC(NCc2nc(C3CCCCC3)no2)CC1.
What is the InChIKey of 1-[4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylamino]piperidin-1-yl]butan-1-one?
The InChIKey is PKHYVAUUQPZCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-2-6-17(23)22-11-9-15(10-12-22)19-13-16-20-18(21-24-16)14-7-4-3-5-8-14/h14-15,19H,2-13H2,1H3.
What are the key properties of 1-[4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylamino]piperidin-1-yl]butan-1-one?
1-[4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylamino]piperidin-1-yl]butan-1-one has a molecular weight of 334.46 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylamino]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 56718197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).