2-[1-[3-(4-fluorophenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide

C30H35FN4O2 — CID 67775708

About 2-[1-[3-(4-fluorophenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide

2-[1-[3-(4-fluorophenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide (PubChem CID 67775708) has the molecular formula C30H35FN4O2 and a molecular weight of 502.63 g/mol. Its IUPAC name is 2-[1-[3-(4-fluorophenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide.

Molecular Properties

• Compound Name: 2-[1-[3-(4-fluorophenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide
• PubChem CID: 67775708
• Molecular Formula: C30H35FN4O2
• Molecular Weight: 502.63 g/mol
• Exact Mass: 502.27
• IUPAC Name: 2-[1-[3-(4-fluorophenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide
• SMILES: NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)C=Cc2ccc(F)cc2)CC1
• InChI: InChI=1S/C30H35FN4O2/c31-23-10-5-20(6-11-23)7-14-28(36)35-17-15-22(16-18-35)29(30(32)37)34-24-12-8-21(9-13-24)26-19-33-27-4-2-1-3-25(26)27/h1-7,10-11,14,19,21-22,24,29,33-34H,8-9,12-13,15-18H2,(H2,32,37)
• InChIKey: DGHYFBXFQMJKRH-UHFFFAOYSA-N
• XLogP: 4.73
• TPSA: 91.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.63
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(4-fluorophenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide?

The IUPAC name of 2-[1-[3-(4-fluorophenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide (CID 67775708) is 2-[1-[3-(4-fluorophenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide.

What is the SMILES notation for 2-[1-[3-(4-fluorophenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide?

The canonical SMILES for 2-[1-[3-(4-fluorophenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide is NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)C=Cc2ccc(F)cc2)CC1.

What is the InChIKey of 2-[1-[3-(4-fluorophenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide?

The InChIKey is DGHYFBXFQMJKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35FN4O2/c31-23-10-5-20(6-11-23)7-14-28(36)35-17-15-22(16-18-35)29(30(32)37)34-24-12-8-21(9-13-24)26-19-33-27-4-2-1-3-25(26)27/h1-7,10-11,14,19,21-22,24,29,33-34H,8-9,12-13,15-18H2,(H2,32,37).

What are the key properties of 2-[1-[3-(4-fluorophenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide?

2-[1-[3-(4-fluorophenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide has a molecular weight of 502.63 g/mol, XLogP of 4.73, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[3-(4-fluorophenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide is sourced from PubChem (CID 67775708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).