prop-2-enyl 4-[2-methyl-1-oxo-1-[[2-oxo-2-(5-propyl-3-pyridinyl)ethyl]amino]propan-2-yl]piperazine-1-carboxylate;N-(2,2,2-trifluoroethyl)formamide

C25H36F3N5O5 — CID 142065696

About prop-2-enyl 4-[2-methyl-1-oxo-1-[[2-oxo-2-(5-propyl-3-pyridinyl)ethyl]amino]propan-2-yl]piperazine-1-carboxylate;N-(2,2,2-trifluoroethyl)formamide

prop-2-enyl 4-[2-methyl-1-oxo-1-[[2-oxo-2-(5-propyl-3-pyridinyl)ethyl]amino]propan-2-yl]piperazine-1-carboxylate;N-(2,2,2-trifluoroethyl)formamide (PubChem CID 142065696) has the molecular formula C25H36F3N5O5 and a molecular weight of 543.59 g/mol. Its IUPAC name is prop-2-enyl 4-[2-methyl-1-oxo-1-[[2-oxo-2-(5-propyl-3-pyridinyl)ethyl]amino]propan-2-yl]piperazine-1-carboxylate;N-(2,2,2-trifluoroethyl)formamide.

Molecular Properties

• Compound Name: prop-2-enyl 4-[2-methyl-1-oxo-1-[[2-oxo-2-(5-propyl-3-pyridinyl)ethyl]amino]propan-2-yl]piperazine-1-carboxylate;N-(2,2,2-trifluoroethyl)formamide
• PubChem CID: 142065696
• Molecular Formula: C25H36F3N5O5
• Molecular Weight: 543.59 g/mol
• Exact Mass: 543.27
• IUPAC Name: prop-2-enyl 4-[2-methyl-1-oxo-1-[[2-oxo-2-(5-propyl-3-pyridinyl)ethyl]amino]propan-2-yl]piperazine-1-carboxylate;N-(2,2,2-trifluoroethyl)formamide
• SMILES: C=CCOC(=O)N1CCN(C(C)(C)C(=O)NCC(=O)c2cncc(CCC)c2)CC1.O=CNCC(F)(F)F
• InChI: InChI=1S/C22H32N4O4.C3H4F3NO/c1-5-7-17-13-18(15-23-14-17)19(27)16-24-20(28)22(3,4)26-10-8-25(9-11-26)21(29)30-12-6-2;4-3(5,6)1-7-2-8/h6,13-15H,2,5,7-12,16H2,1,3-4H3,(H,24,28);2H,1H2,(H,7,8)
• InChIKey: LDQGABNJFGRVML-UHFFFAOYSA-N
• XLogP: 2.35
• TPSA: 120.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.59
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-[2-methyl-1-oxo-1-[[2-oxo-2-(5-propyl-3-pyridinyl)ethyl]amino]propan-2-yl]piperazine-1-carboxylate;N-(2,2,2-trifluoroethyl)formamide?

The IUPAC name of prop-2-enyl 4-[2-methyl-1-oxo-1-[[2-oxo-2-(5-propyl-3-pyridinyl)ethyl]amino]propan-2-yl]piperazine-1-carboxylate;N-(2,2,2-trifluoroethyl)formamide (CID 142065696) is prop-2-enyl 4-[2-methyl-1-oxo-1-[[2-oxo-2-(5-propyl-3-pyridinyl)ethyl]amino]propan-2-yl]piperazine-1-carboxylate;N-(2,2,2-trifluoroethyl)formamide.

What is the SMILES notation for prop-2-enyl 4-[2-methyl-1-oxo-1-[[2-oxo-2-(5-propyl-3-pyridinyl)ethyl]amino]propan-2-yl]piperazine-1-carboxylate;N-(2,2,2-trifluoroethyl)formamide?

The canonical SMILES for prop-2-enyl 4-[2-methyl-1-oxo-1-[[2-oxo-2-(5-propyl-3-pyridinyl)ethyl]amino]propan-2-yl]piperazine-1-carboxylate;N-(2,2,2-trifluoroethyl)formamide is C=CCOC(=O)N1CCN(C(C)(C)C(=O)NCC(=O)c2cncc(CCC)c2)CC1.O=CNCC(F)(F)F.

What is the InChIKey of prop-2-enyl 4-[2-methyl-1-oxo-1-[[2-oxo-2-(5-propyl-3-pyridinyl)ethyl]amino]propan-2-yl]piperazine-1-carboxylate;N-(2,2,2-trifluoroethyl)formamide?

The InChIKey is LDQGABNJFGRVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O4.C3H4F3NO/c1-5-7-17-13-18(15-23-14-17)19(27)16-24-20(28)22(3,4)26-10-8-25(9-11-26)21(29)30-12-6-2;4-3(5,6)1-7-2-8/h6,13-15H,2,5,7-12,16H2,1,3-4H3,(H,24,28);2H,1H2,(H,7,8).

What are the key properties of prop-2-enyl 4-[2-methyl-1-oxo-1-[[2-oxo-2-(5-propyl-3-pyridinyl)ethyl]amino]propan-2-yl]piperazine-1-carboxylate;N-(2,2,2-trifluoroethyl)formamide?

prop-2-enyl 4-[2-methyl-1-oxo-1-[[2-oxo-2-(5-propyl-3-pyridinyl)ethyl]amino]propan-2-yl]piperazine-1-carboxylate;N-(2,2,2-trifluoroethyl)formamide has a molecular weight of 543.59 g/mol, XLogP of 2.35, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for prop-2-enyl 4-[2-methyl-1-oxo-1-[[2-oxo-2-(5-propyl-3-pyridinyl)ethyl]amino]propan-2-yl]piperazine-1-carboxylate;N-(2,2,2-trifluoroethyl)formamide is sourced from PubChem (CID 142065696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).