N-[4-[2-[piperidin-4-yl-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]amino]ethyl]phenyl]acetamide

C28H35N7O — CID 67649802

About N-[4-[2-[piperidin-4-yl-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]amino]ethyl]phenyl]acetamide

N-[4-[2-[piperidin-4-yl-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]amino]ethyl]phenyl]acetamide (PubChem CID 67649802) has the molecular formula C28H35N7O and a molecular weight of 485.64 g/mol. Its IUPAC name is N-[4-[2-[piperidin-4-yl-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]amino]ethyl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[2-[piperidin-4-yl-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]amino]ethyl]phenyl]acetamide
• PubChem CID: 67649802
• Molecular Formula: C28H35N7O
• Molecular Weight: 485.64 g/mol
• Exact Mass: 485.29
• IUPAC Name: N-[4-[2-[piperidin-4-yl-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]amino]ethyl]phenyl]acetamide
• SMILES: CC(=O)Nc1ccc(CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)C2CCNCC2)cc1
• InChI: InChI=1S/C28H35N7O/c1-21(36)33-24-6-4-22(5-7-24)12-16-34(25-10-13-29-14-11-25)15-2-3-23-18-30-28-9-8-26(17-27(23)28)35-19-31-32-20-35/h4-9,17-20,25,29-30H,2-3,10-16H2,1H3,(H,33,36)
• InChIKey: KWCDEMKTRNCYGU-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 90.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.64
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[piperidin-4-yl-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]amino]ethyl]phenyl]acetamide?

The IUPAC name of N-[4-[2-[piperidin-4-yl-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]amino]ethyl]phenyl]acetamide (CID 67649802) is N-[4-[2-[piperidin-4-yl-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]amino]ethyl]phenyl]acetamide.

What is the SMILES notation for N-[4-[2-[piperidin-4-yl-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]amino]ethyl]phenyl]acetamide?

The canonical SMILES for N-[4-[2-[piperidin-4-yl-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]amino]ethyl]phenyl]acetamide is CC(=O)Nc1ccc(CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)C2CCNCC2)cc1.

What is the InChIKey of N-[4-[2-[piperidin-4-yl-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]amino]ethyl]phenyl]acetamide?

The InChIKey is KWCDEMKTRNCYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N7O/c1-21(36)33-24-6-4-22(5-7-24)12-16-34(25-10-13-29-14-11-25)15-2-3-23-18-30-28-9-8-26(17-27(23)28)35-19-31-32-20-35/h4-9,17-20,25,29-30H,2-3,10-16H2,1H3,(H,33,36).

What are the key properties of N-[4-[2-[piperidin-4-yl-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]amino]ethyl]phenyl]acetamide?

N-[4-[2-[piperidin-4-yl-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]amino]ethyl]phenyl]acetamide has a molecular weight of 485.64 g/mol, XLogP of 3.94, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[piperidin-4-yl-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]amino]ethyl]phenyl]acetamide is sourced from PubChem (CID 67649802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).