N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[4-(diaminomethylideneamino)piperidin-1-yl]-N-methyl-2-phenylacetamide;2-[4-(diaminomethylideneamino)piperidin-1-yl]-N-methyl-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide;fluoroform

C48H56F12N10O2 — CID 162041873

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[4-(diaminomethylideneamino)piperidin-1-yl]-N-methyl-2-phenylacetamide;2-[4-(diaminomethylideneamino)piperidin-1-yl]-N-methyl-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide;fluoroform

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[4-(diaminomethylideneamino)piperidin-1-yl]-N-methyl-2-phenylacetamide;2-[4-(diaminomethylideneamino)piperidin-1-yl]-N-methyl-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide;fluoroform (PubChem CID 162041873) has the molecular formula C48H56F12N10O2 and a molecular weight of 1033.02 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[4-(diaminomethylideneamino)piperidin-1-yl]-N-methyl-2-phenylacetamide;2-[4-(diaminomethylideneamino)piperidin-1-yl]-N-methyl-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide;fluoroform.

Molecular Properties

• Compound Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[4-(diaminomethylideneamino)piperidin-1-yl]-N-methyl-2-phenylacetamide;2-[4-(diaminomethylideneamino)piperidin-1-yl]-N-methyl-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide;fluoroform
• PubChem CID: 162041873
• Molecular Formula: C48H56F12N10O2
• Molecular Weight: 1033.02 g/mol
• Exact Mass: 1032.44
• IUPAC Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[4-(diaminomethylideneamino)piperidin-1-yl]-N-methyl-2-phenylacetamide;2-[4-(diaminomethylideneamino)piperidin-1-yl]-N-methyl-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide;fluoroform
• SMILES: CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)C(c1ccccc1)N1CCC(N=C(N)N)CC1.CN(Cc1cccc(C(F)(F)F)c1)C(=O)C(c1ccccc1)N1CCC(N=C(N)N)CC1.FC(F)F
• InChI: InChI=1S/C24H27F6N5O.C23H28F3N5O.CHF3/c1-34(14-15-11-17(23(25,26)27)13-18(12-15)24(28,29)30)21(36)20(16-5-3-2-4-6-16)35-9-7-19(8-10-35)33-22(31)32;1-30(15-16-6-5-9-18(14-16)23(24,25)26)21(32)20(17-7-3-2-4-8-17)31-12-10-19(11-13-31)29-22(27)28;2-1(3)4/h2-6,11-13,19-20H,7-10,14H2,1H3,(H4,31,32,33);2-9,14,19-20H,10-13,15H2,1H3,(H4,27,28,29);1H
• InChIKey: YXJQGCFPRJYCPR-UHFFFAOYSA-N
• XLogP: 8.48
• TPSA: 175.90 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1033.02
LogP ≤ 5	8.48
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[4-(diaminomethylideneamino)piperidin-1-yl]-N-methyl-2-phenylacetamide;2-[4-(diaminomethylideneamino)piperidin-1-yl]-N-methyl-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide;fluoroform?

The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[4-(diaminomethylideneamino)piperidin-1-yl]-N-methyl-2-phenylacetamide;2-[4-(diaminomethylideneamino)piperidin-1-yl]-N-methyl-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide;fluoroform (CID 162041873) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[4-(diaminomethylideneamino)piperidin-1-yl]-N-methyl-2-phenylacetamide;2-[4-(diaminomethylideneamino)piperidin-1-yl]-N-methyl-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide;fluoroform.

What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[4-(diaminomethylideneamino)piperidin-1-yl]-N-methyl-2-phenylacetamide;2-[4-(diaminomethylideneamino)piperidin-1-yl]-N-methyl-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide;fluoroform?

The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[4-(diaminomethylideneamino)piperidin-1-yl]-N-methyl-2-phenylacetamide;2-[4-(diaminomethylideneamino)piperidin-1-yl]-N-methyl-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide;fluoroform is CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)C(c1ccccc1)N1CCC(N=C(N)N)CC1.CN(Cc1cccc(C(F)(F)F)c1)C(=O)C(c1ccccc1)N1CCC(N=C(N)N)CC1.FC(F)F.

What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[4-(diaminomethylideneamino)piperidin-1-yl]-N-methyl-2-phenylacetamide;2-[4-(diaminomethylideneamino)piperidin-1-yl]-N-methyl-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide;fluoroform?

The InChIKey is YXJQGCFPRJYCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F6N5O.C23H28F3N5O.CHF3/c1-34(14-15-11-17(23(25,26)27)13-18(12-15)24(28,29)30)21(36)20(16-5-3-2-4-6-16)35-9-7-19(8-10-35)33-22(31)32;1-30(15-16-6-5-9-18(14-16)23(24,25)26)21(32)20(17-7-3-2-4-8-17)31-12-10-19(11-13-31)29-22(27)28;2-1(3)4/h2-6,11-13,19-20H,7-10,14H2,1H3,(H4,31,32,33);2-9,14,19-20H,10-13,15H2,1H3,(H4,27,28,29);1H.

What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[4-(diaminomethylideneamino)piperidin-1-yl]-N-methyl-2-phenylacetamide;2-[4-(diaminomethylideneamino)piperidin-1-yl]-N-methyl-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide;fluoroform?

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[4-(diaminomethylideneamino)piperidin-1-yl]-N-methyl-2-phenylacetamide;2-[4-(diaminomethylideneamino)piperidin-1-yl]-N-methyl-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide;fluoroform has a molecular weight of 1033.02 g/mol, XLogP of 8.48, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[4-(diaminomethylideneamino)piperidin-1-yl]-N-methyl-2-phenylacetamide;2-[4-(diaminomethylideneamino)piperidin-1-yl]-N-methyl-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide;fluoroform is sourced from PubChem (CID 162041873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).