5-[1-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one

C18H27N5O4 — CID 154834014

About 5-[1-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one

5-[1-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 154834014) has the molecular formula C18H27N5O4 and a molecular weight of 377.45 g/mol. Its IUPAC name is 5-[1-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

• Compound Name: 5-[1-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
• PubChem CID: 154834014
• Molecular Formula: C18H27N5O4
• Molecular Weight: 377.45 g/mol
• Exact Mass: 377.21
• IUPAC Name: 5-[1-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
• SMILES: O=C(C1CCN(C(=O)N2CCCC2)CC1)N1CCC(c2n[nH]c(=O)o2)CC1
• InChI: InChI=1S/C18H27N5O4/c24-16(21-9-3-13(4-10-21)15-19-20-17(25)27-15)14-5-11-23(12-6-14)18(26)22-7-1-2-8-22/h13-14H,1-12H2,(H,20,25)
• InChIKey: FIFQAWPMTYEJQG-UHFFFAOYSA-N
• XLogP: 1.00
• TPSA: 102.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.45
LogP ≤ 5	1.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[1-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one?

The IUPAC name of 5-[1-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one (CID 154834014) is 5-[1-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one.

What is the SMILES notation for 5-[1-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one?

The canonical SMILES for 5-[1-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one is O=C(C1CCN(C(=O)N2CCCC2)CC1)N1CCC(c2n[nH]c(=O)o2)CC1.

What is the InChIKey of 5-[1-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one?

The InChIKey is FIFQAWPMTYEJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O4/c24-16(21-9-3-13(4-10-21)15-19-20-17(25)27-15)14-5-11-23(12-6-14)18(26)22-7-1-2-8-22/h13-14H,1-12H2,(H,20,25).

What are the key properties of 5-[1-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one?

5-[1-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 377.45 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 154834014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).