1-[2-[1-[3-(4-methyl-1,2,4-triazol-3-yl)propanoyl]piperidin-4-yl]ethyl]pyrrolidin-2-one

C17H27N5O2 — CID 70714073

About 1-[2-[1-[3-(4-methyl-1,2,4-triazol-3-yl)propanoyl]piperidin-4-yl]ethyl]pyrrolidin-2-one

1-[2-[1-[3-(4-methyl-1,2,4-triazol-3-yl)propanoyl]piperidin-4-yl]ethyl]pyrrolidin-2-one (PubChem CID 70714073) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-[2-[1-[3-(4-methyl-1,2,4-triazol-3-yl)propanoyl]piperidin-4-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-[2-[1-[3-(4-methyl-1,2,4-triazol-3-yl)propanoyl]piperidin-4-yl]ethyl]pyrrolidin-2-one
• PubChem CID: 70714073
• Molecular Formula: C17H27N5O2
• Molecular Weight: 333.44 g/mol
• Exact Mass: 333.22
• IUPAC Name: 1-[2-[1-[3-(4-methyl-1,2,4-triazol-3-yl)propanoyl]piperidin-4-yl]ethyl]pyrrolidin-2-one
• SMILES: Cn1cnnc1CCC(=O)N1CCC(CCN2CCCC2=O)CC1
• InChI: InChI=1S/C17H27N5O2/c1-20-13-18-19-15(20)4-5-17(24)22-11-7-14(8-12-22)6-10-21-9-2-3-16(21)23/h13-14H,2-12H2,1H3
• InChIKey: PBGAKLJZIKNAPD-UHFFFAOYSA-N
• XLogP: 1.00
• TPSA: 71.33 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.44
LogP ≤ 5	1.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[3-(4-methyl-1,2,4-triazol-3-yl)propanoyl]piperidin-4-yl]ethyl]pyrrolidin-2-one?

The IUPAC name of 1-[2-[1-[3-(4-methyl-1,2,4-triazol-3-yl)propanoyl]piperidin-4-yl]ethyl]pyrrolidin-2-one (CID 70714073) is 1-[2-[1-[3-(4-methyl-1,2,4-triazol-3-yl)propanoyl]piperidin-4-yl]ethyl]pyrrolidin-2-one.

What is the SMILES notation for 1-[2-[1-[3-(4-methyl-1,2,4-triazol-3-yl)propanoyl]piperidin-4-yl]ethyl]pyrrolidin-2-one?

The canonical SMILES for 1-[2-[1-[3-(4-methyl-1,2,4-triazol-3-yl)propanoyl]piperidin-4-yl]ethyl]pyrrolidin-2-one is Cn1cnnc1CCC(=O)N1CCC(CCN2CCCC2=O)CC1.

What is the InChIKey of 1-[2-[1-[3-(4-methyl-1,2,4-triazol-3-yl)propanoyl]piperidin-4-yl]ethyl]pyrrolidin-2-one?

The InChIKey is PBGAKLJZIKNAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-20-13-18-19-15(20)4-5-17(24)22-11-7-14(8-12-22)6-10-21-9-2-3-16(21)23/h13-14H,2-12H2,1H3.

What are the key properties of 1-[2-[1-[3-(4-methyl-1,2,4-triazol-3-yl)propanoyl]piperidin-4-yl]ethyl]pyrrolidin-2-one?

1-[2-[1-[3-(4-methyl-1,2,4-triazol-3-yl)propanoyl]piperidin-4-yl]ethyl]pyrrolidin-2-one has a molecular weight of 333.44 g/mol, XLogP of 1.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[1-[3-(4-methyl-1,2,4-triazol-3-yl)propanoyl]piperidin-4-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 70714073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).