N-[2-[4-(aminomethyl)phenyl]ethyl]-2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]acetamide

C24H31N7O — CID 174355337

About N-[2-[4-(aminomethyl)phenyl]ethyl]-2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]acetamide

N-[2-[4-(aminomethyl)phenyl]ethyl]-2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]acetamide (PubChem CID 174355337) has the molecular formula C24H31N7O and a molecular weight of 433.56 g/mol. Its IUPAC name is N-[2-[4-(aminomethyl)phenyl]ethyl]-2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[2-[4-(aminomethyl)phenyl]ethyl]-2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]acetamide
• PubChem CID: 174355337
• Molecular Formula: C24H31N7O
• Molecular Weight: 433.56 g/mol
• Exact Mass: 433.26
• IUPAC Name: N-[2-[4-(aminomethyl)phenyl]ethyl]-2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]acetamide
• SMILES: Cc1cc(N2CCCCC2CC(=O)NCCc2ccc(CN)cc2)nc(-n2ccnc2)n1
• InChI: InChI=1S/C24H31N7O/c1-18-14-22(29-24(28-18)30-13-11-26-17-30)31-12-3-2-4-21(31)15-23(32)27-10-9-19-5-7-20(16-25)8-6-19/h5-8,11,13-14,17,21H,2-4,9-10,12,15-16,25H2,1H3,(H,27,32)
• InChIKey: FGIXDCJKMWMBOV-UHFFFAOYSA-N
• XLogP: 2.54
• TPSA: 101.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.56
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(aminomethyl)phenyl]ethyl]-2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]acetamide?

The IUPAC name of N-[2-[4-(aminomethyl)phenyl]ethyl]-2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]acetamide (CID 174355337) is N-[2-[4-(aminomethyl)phenyl]ethyl]-2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]acetamide.

What is the SMILES notation for N-[2-[4-(aminomethyl)phenyl]ethyl]-2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]acetamide?

The canonical SMILES for N-[2-[4-(aminomethyl)phenyl]ethyl]-2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]acetamide is Cc1cc(N2CCCCC2CC(=O)NCCc2ccc(CN)cc2)nc(-n2ccnc2)n1.

What is the InChIKey of N-[2-[4-(aminomethyl)phenyl]ethyl]-2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]acetamide?

The InChIKey is FGIXDCJKMWMBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O/c1-18-14-22(29-24(28-18)30-13-11-26-17-30)31-12-3-2-4-21(31)15-23(32)27-10-9-19-5-7-20(16-25)8-6-19/h5-8,11,13-14,17,21H,2-4,9-10,12,15-16,25H2,1H3,(H,27,32).

What are the key properties of N-[2-[4-(aminomethyl)phenyl]ethyl]-2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]acetamide?

N-[2-[4-(aminomethyl)phenyl]ethyl]-2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]acetamide has a molecular weight of 433.56 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(aminomethyl)phenyl]ethyl]-2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]acetamide is sourced from PubChem (CID 174355337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).