5-methyl-N-[(3R,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide

C20H26N6O2 — CID 124691466

About 5-methyl-N-[(3R,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide

5-methyl-N-[(3R,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 124691466) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 5-methyl-N-[(3R,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-N-[(3R,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide
• PubChem CID: 124691466
• Molecular Formula: C20H26N6O2
• Molecular Weight: 382.47 g/mol
• Exact Mass: 382.21
• IUPAC Name: 5-methyl-N-[(3R,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide
• SMILES: Cc1c(C(=O)N[C@@H]2C[C@@H](C)N(c3ccccc3)C2=O)nnn1C1CCNCC1
• InChI: InChI=1S/C20H26N6O2/c1-13-12-17(20(28)25(13)15-6-4-3-5-7-15)22-19(27)18-14(2)26(24-23-18)16-8-10-21-11-9-16/h3-7,13,16-17,21H,8-12H2,1-2H3,(H,22,27)/t13-,17-/m1/s1
• InChIKey: NVIQVQKWKVOPCV-CXAGYDPISA-N
• XLogP: 1.43
• TPSA: 92.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.47
LogP ≤ 5	1.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(3R,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide?

The IUPAC name of 5-methyl-N-[(3R,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide (CID 124691466) is 5-methyl-N-[(3R,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide.

What is the SMILES notation for 5-methyl-N-[(3R,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide?

The canonical SMILES for 5-methyl-N-[(3R,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide is Cc1c(C(=O)N[C@@H]2C[C@@H](C)N(c3ccccc3)C2=O)nnn1C1CCNCC1.

What is the InChIKey of 5-methyl-N-[(3R,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide?

The InChIKey is NVIQVQKWKVOPCV-CXAGYDPISA-N. The full InChI is InChI=1S/C20H26N6O2/c1-13-12-17(20(28)25(13)15-6-4-3-5-7-15)22-19(27)18-14(2)26(24-23-18)16-8-10-21-11-9-16/h3-7,13,16-17,21H,8-12H2,1-2H3,(H,22,27)/t13-,17-/m1/s1.

What are the key properties of 5-methyl-N-[(3R,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide?

5-methyl-N-[(3R,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[(3R,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 124691466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).