3-piperidin-4-yl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]butan-1-one;hydrochloride

C18H31ClN4O2 — CID 119767317

About 3-piperidin-4-yl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]butan-1-one;hydrochloride

3-piperidin-4-yl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]butan-1-one;hydrochloride (PubChem CID 119767317) has the molecular formula C18H31ClN4O2 and a molecular weight of 370.93 g/mol. Its IUPAC name is 3-piperidin-4-yl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]butan-1-one;hydrochloride.

Molecular Properties

• Compound Name: 3-piperidin-4-yl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]butan-1-one;hydrochloride
• PubChem CID: 119767317
• Molecular Formula: C18H31ClN4O2
• Molecular Weight: 370.93 g/mol
• Exact Mass: 370.21
• IUPAC Name: 3-piperidin-4-yl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]butan-1-one;hydrochloride
• SMILES: CC(C)c1nc(C2CCCN2C(=O)CC(C)C2CCNCC2)no1.Cl
• InChI: InChI=1S/C18H30N4O2.ClH/c1-12(2)18-20-17(21-24-18)15-5-4-10-22(15)16(23)11-13(3)14-6-8-19-9-7-14;/h12-15,19H,4-11H2,1-3H3;1H
• InChIKey: KTFMDPNCTLLXPF-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 71.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.93
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]butan-1-one;hydrochloride?

The IUPAC name of 3-piperidin-4-yl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]butan-1-one;hydrochloride (CID 119767317) is 3-piperidin-4-yl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]butan-1-one;hydrochloride.

What is the SMILES notation for 3-piperidin-4-yl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]butan-1-one;hydrochloride?

The canonical SMILES for 3-piperidin-4-yl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]butan-1-one;hydrochloride is CC(C)c1nc(C2CCCN2C(=O)CC(C)C2CCNCC2)no1.Cl.

What is the InChIKey of 3-piperidin-4-yl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]butan-1-one;hydrochloride?

The InChIKey is KTFMDPNCTLLXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2.ClH/c1-12(2)18-20-17(21-24-18)15-5-4-10-22(15)16(23)11-13(3)14-6-8-19-9-7-14;/h12-15,19H,4-11H2,1-3H3;1H.

What are the key properties of 3-piperidin-4-yl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]butan-1-one;hydrochloride?

3-piperidin-4-yl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]butan-1-one;hydrochloride has a molecular weight of 370.93 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-piperidin-4-yl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]butan-1-one;hydrochloride is sourced from PubChem (CID 119767317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).