ethane;1-[1-[2-(2-methoxy-5-piperidin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide

C30H42N4O2 — CID 143271947

About ethane;1-[1-[2-(2-methoxy-5-piperidin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide

ethane;1-[1-[2-(2-methoxy-5-piperidin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide (PubChem CID 143271947) has the molecular formula C30H42N4O2 and a molecular weight of 490.69 g/mol. Its IUPAC name is ethane;1-[1-[2-(2-methoxy-5-piperidin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide.

Molecular Properties

• Compound Name: ethane;1-[1-[2-(2-methoxy-5-piperidin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide
• PubChem CID: 143271947
• Molecular Formula: C30H42N4O2
• Molecular Weight: 490.69 g/mol
• Exact Mass: 490.33
• IUPAC Name: ethane;1-[1-[2-(2-methoxy-5-piperidin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide
• SMILES: CC.COc1ccc(N2CCCCC2)cc1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1
• InChI: InChI=1S/C28H36N4O2.C2H6/c1-34-27-8-7-25(31-13-3-2-4-14-31)19-22(27)9-15-30-16-11-24(12-17-30)32-18-10-21-5-6-23(28(29)33)20-26(21)32;1-2/h5-8,10,18-20,24H,2-4,9,11-17H2,1H3,(H2,29,33);1-2H3
• InChIKey: LDCKHEYASHMZII-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 63.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.69
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethane;1-[1-[2-(2-methoxy-5-piperidin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide?

The IUPAC name of ethane;1-[1-[2-(2-methoxy-5-piperidin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide (CID 143271947) is ethane;1-[1-[2-(2-methoxy-5-piperidin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide.

What is the SMILES notation for ethane;1-[1-[2-(2-methoxy-5-piperidin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide?

The canonical SMILES for ethane;1-[1-[2-(2-methoxy-5-piperidin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide is CC.COc1ccc(N2CCCCC2)cc1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1.

What is the InChIKey of ethane;1-[1-[2-(2-methoxy-5-piperidin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide?

The InChIKey is LDCKHEYASHMZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O2.C2H6/c1-34-27-8-7-25(31-13-3-2-4-14-31)19-22(27)9-15-30-16-11-24(12-17-30)32-18-10-21-5-6-23(28(29)33)20-26(21)32;1-2/h5-8,10,18-20,24H,2-4,9,11-17H2,1H3,(H2,29,33);1-2H3.

What are the key properties of ethane;1-[1-[2-(2-methoxy-5-piperidin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide?

ethane;1-[1-[2-(2-methoxy-5-piperidin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide has a molecular weight of 490.69 g/mol, XLogP of 5.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;1-[1-[2-(2-methoxy-5-piperidin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide is sourced from PubChem (CID 143271947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).