2,5-dimethyl-1-propan-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrole-3-carboxamide;hydrochloride

C17H28ClF3N4O — CID 120813412

About 2,5-dimethyl-1-propan-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrole-3-carboxamide;hydrochloride

2,5-dimethyl-1-propan-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrole-3-carboxamide;hydrochloride (PubChem CID 120813412) has the molecular formula C17H28ClF3N4O and a molecular weight of 396.89 g/mol. Its IUPAC name is 2,5-dimethyl-1-propan-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrole-3-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 2,5-dimethyl-1-propan-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrole-3-carboxamide;hydrochloride
• PubChem CID: 120813412
• Molecular Formula: C17H28ClF3N4O
• Molecular Weight: 396.89 g/mol
• Exact Mass: 396.19
• IUPAC Name: 2,5-dimethyl-1-propan-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrole-3-carboxamide;hydrochloride
• SMILES: Cc1cc(C(=O)NCC(N2CCNCC2)C(F)(F)F)c(C)n1C(C)C.Cl
• InChI: InChI=1S/C17H27F3N4O.ClH/c1-11(2)24-12(3)9-14(13(24)4)16(25)22-10-15(17(18,19)20)23-7-5-21-6-8-23;/h9,11,15,21H,5-8,10H2,1-4H3,(H,22,25);1H
• InChIKey: VCYIGMTTXSGUSD-UHFFFAOYSA-N
• XLogP: 2.67
• TPSA: 49.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.89
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-propan-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrole-3-carboxamide;hydrochloride?

The IUPAC name of 2,5-dimethyl-1-propan-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrole-3-carboxamide;hydrochloride (CID 120813412) is 2,5-dimethyl-1-propan-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrole-3-carboxamide;hydrochloride.

What is the SMILES notation for 2,5-dimethyl-1-propan-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrole-3-carboxamide;hydrochloride?

The canonical SMILES for 2,5-dimethyl-1-propan-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrole-3-carboxamide;hydrochloride is Cc1cc(C(=O)NCC(N2CCNCC2)C(F)(F)F)c(C)n1C(C)C.Cl.

What is the InChIKey of 2,5-dimethyl-1-propan-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrole-3-carboxamide;hydrochloride?

The InChIKey is VCYIGMTTXSGUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F3N4O.ClH/c1-11(2)24-12(3)9-14(13(24)4)16(25)22-10-15(17(18,19)20)23-7-5-21-6-8-23;/h9,11,15,21H,5-8,10H2,1-4H3,(H,22,25);1H.

What are the key properties of 2,5-dimethyl-1-propan-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrole-3-carboxamide;hydrochloride?

2,5-dimethyl-1-propan-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrole-3-carboxamide;hydrochloride has a molecular weight of 396.89 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-1-propan-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrole-3-carboxamide;hydrochloride is sourced from PubChem (CID 120813412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).