5-methyl-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C20H29ClN6O2 — CID 119780303

About 5-methyl-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

5-methyl-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119780303) has the molecular formula C20H29ClN6O2 and a molecular weight of 420.95 g/mol. Its IUPAC name is 5-methyl-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 5-methyl-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
• PubChem CID: 119780303
• Molecular Formula: C20H29ClN6O2
• Molecular Weight: 420.95 g/mol
• Exact Mass: 420.20
• IUPAC Name: 5-methyl-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
• SMILES: Cc1ccc(NC(=O)c2nnn(C3CCNCC3)c2C)cc1C(=O)NC(C)C.Cl
• InChI: InChI=1S/C20H28N6O2.ClH/c1-12(2)22-19(27)17-11-15(6-5-13(17)3)23-20(28)18-14(4)26(25-24-18)16-7-9-21-10-8-16;/h5-6,11-12,16,21H,7-10H2,1-4H3,(H,22,27)(H,23,28);1H
• InChIKey: OXRXBNVWJSHCOX-UHFFFAOYSA-N
• XLogP: 2.63
• TPSA: 100.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.95
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?

The IUPAC name of 5-methyl-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119780303) is 5-methyl-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

What is the SMILES notation for 5-methyl-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?

The canonical SMILES for 5-methyl-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cc1ccc(NC(=O)c2nnn(C3CCNCC3)c2C)cc1C(=O)NC(C)C.Cl.

What is the InChIKey of 5-methyl-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?

The InChIKey is OXRXBNVWJSHCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2.ClH/c1-12(2)22-19(27)17-11-15(6-5-13(17)3)23-20(28)18-14(4)26(25-24-18)16-7-9-21-10-8-16;/h5-6,11-12,16,21H,7-10H2,1-4H3,(H,22,27)(H,23,28);1H.

What are the key properties of 5-methyl-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?

5-methyl-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 420.95 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119780303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).