4-[2-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decane-8-carbonyl]-1H-pyridin-2-one

C25H34N6O4 — CID 146067216

About 4-[2-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decane-8-carbonyl]-1H-pyridin-2-one

4-[2-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decane-8-carbonyl]-1H-pyridin-2-one (PubChem CID 146067216) has the molecular formula C25H34N6O4 and a molecular weight of 482.59 g/mol. Its IUPAC name is 4-[2-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decane-8-carbonyl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 4-[2-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decane-8-carbonyl]-1H-pyridin-2-one
• PubChem CID: 146067216
• Molecular Formula: C25H34N6O4
• Molecular Weight: 482.59 g/mol
• Exact Mass: 482.26
• IUPAC Name: 4-[2-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decane-8-carbonyl]-1H-pyridin-2-one
• SMILES: CC(C)c1nnc(C2CC3(CCN(C(=O)c4cc[nH]c(=O)c4)CC3)CN2CC(=O)N2CCCC2)o1
• InChI: InChI=1S/C25H34N6O4/c1-17(2)22-27-28-23(35-22)19-14-25(16-31(19)15-21(33)29-9-3-4-10-29)6-11-30(12-7-25)24(34)18-5-8-26-20(32)13-18/h5,8,13,17,19H,3-4,6-7,9-12,14-16H2,1-2H3,(H,26,32)
• InChIKey: UBCNVGYRNQDLSC-UHFFFAOYSA-N
• XLogP: 2.17
• TPSA: 115.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.59
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decane-8-carbonyl]-1H-pyridin-2-one?

The IUPAC name of 4-[2-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decane-8-carbonyl]-1H-pyridin-2-one (CID 146067216) is 4-[2-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decane-8-carbonyl]-1H-pyridin-2-one.

What is the SMILES notation for 4-[2-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decane-8-carbonyl]-1H-pyridin-2-one?

The canonical SMILES for 4-[2-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decane-8-carbonyl]-1H-pyridin-2-one is CC(C)c1nnc(C2CC3(CCN(C(=O)c4cc[nH]c(=O)c4)CC3)CN2CC(=O)N2CCCC2)o1.

What is the InChIKey of 4-[2-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decane-8-carbonyl]-1H-pyridin-2-one?

The InChIKey is UBCNVGYRNQDLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O4/c1-17(2)22-27-28-23(35-22)19-14-25(16-31(19)15-21(33)29-9-3-4-10-29)6-11-30(12-7-25)24(34)18-5-8-26-20(32)13-18/h5,8,13,17,19H,3-4,6-7,9-12,14-16H2,1-2H3,(H,26,32).

What are the key properties of 4-[2-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decane-8-carbonyl]-1H-pyridin-2-one?

4-[2-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decane-8-carbonyl]-1H-pyridin-2-one has a molecular weight of 482.59 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decane-8-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 146067216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).