N-[(4-chlorophenyl)methyl]-1-[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]piperidine-4-carboxamide

C23H25ClN6O — CID 59447712

About N-[(4-chlorophenyl)methyl]-1-[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]piperidine-4-carboxamide

N-[(4-chlorophenyl)methyl]-1-[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]piperidine-4-carboxamide (PubChem CID 59447712) has the molecular formula C23H25ClN6O and a molecular weight of 436.95 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(4-chlorophenyl)methyl]-1-[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]piperidine-4-carboxamide
• PubChem CID: 59447712
• Molecular Formula: C23H25ClN6O
• Molecular Weight: 436.95 g/mol
• Exact Mass: 436.18
• IUPAC Name: N-[(4-chlorophenyl)methyl]-1-[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]piperidine-4-carboxamide
• SMILES: CNc1nc(-c2ccccc2)nc(N2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)n1
• InChI: InChI=1S/C23H25ClN6O/c1-25-22-27-20(17-5-3-2-4-6-17)28-23(29-22)30-13-11-18(12-14-30)21(31)26-15-16-7-9-19(24)10-8-16/h2-10,18H,11-15H2,1H3,(H,26,31)(H,25,27,28,29)
• InChIKey: OFIHLVMWXMTGLI-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 83.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.95
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]piperidine-4-carboxamide?

The IUPAC name of N-[(4-chlorophenyl)methyl]-1-[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]piperidine-4-carboxamide (CID 59447712) is N-[(4-chlorophenyl)methyl]-1-[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]piperidine-4-carboxamide.

What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]piperidine-4-carboxamide?

The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]piperidine-4-carboxamide is CNc1nc(-c2ccccc2)nc(N2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)n1.

What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]piperidine-4-carboxamide?

The InChIKey is OFIHLVMWXMTGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN6O/c1-25-22-27-20(17-5-3-2-4-6-17)28-23(29-22)30-13-11-18(12-14-30)21(31)26-15-16-7-9-19(24)10-8-16/h2-10,18H,11-15H2,1H3,(H,26,31)(H,25,27,28,29).

What are the key properties of N-[(4-chlorophenyl)methyl]-1-[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]piperidine-4-carboxamide?

N-[(4-chlorophenyl)methyl]-1-[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]piperidine-4-carboxamide has a molecular weight of 436.95 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-chlorophenyl)methyl]-1-[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 59447712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).