3-methyl-1H-indole;N-[3-naphthalen-1-yl-1-oxo-1-[(5-phenyl-1H-imidazol-2-yl)methylamino]propan-2-yl]piperidine-4-carboxamide;propane

C41H48N6O2 — CID 142861724

About 3-methyl-1H-indole;N-[3-naphthalen-1-yl-1-oxo-1-[(5-phenyl-1H-imidazol-2-yl)methylamino]propan-2-yl]piperidine-4-carboxamide;propane

3-methyl-1H-indole;N-[3-naphthalen-1-yl-1-oxo-1-[(5-phenyl-1H-imidazol-2-yl)methylamino]propan-2-yl]piperidine-4-carboxamide;propane (PubChem CID 142861724) has the molecular formula C41H48N6O2 and a molecular weight of 656.88 g/mol. Its IUPAC name is 3-methyl-1H-indole;N-[3-naphthalen-1-yl-1-oxo-1-[(5-phenyl-1H-imidazol-2-yl)methylamino]propan-2-yl]piperidine-4-carboxamide;propane.

Molecular Properties

• Compound Name: 3-methyl-1H-indole;N-[3-naphthalen-1-yl-1-oxo-1-[(5-phenyl-1H-imidazol-2-yl)methylamino]propan-2-yl]piperidine-4-carboxamide;propane
• PubChem CID: 142861724
• Molecular Formula: C41H48N6O2
• Molecular Weight: 656.88 g/mol
• Exact Mass: 656.38
• IUPAC Name: 3-methyl-1H-indole;N-[3-naphthalen-1-yl-1-oxo-1-[(5-phenyl-1H-imidazol-2-yl)methylamino]propan-2-yl]piperidine-4-carboxamide;propane
• SMILES: CCC.Cc1c[nH]c2ccccc12.O=C(NC(Cc1cccc2ccccc12)C(=O)NCc1ncc(-c2ccccc2)[nH]1)C1CCNCC1
• InChI: InChI=1S/C29H31N5O2.C9H9N.C3H8/c35-28(22-13-15-30-16-14-22)34-25(17-23-11-6-10-20-7-4-5-12-24(20)23)29(36)32-19-27-31-18-26(33-27)21-8-2-1-3-9-21;1-7-6-10-9-5-3-2-4-8(7)9;1-3-2/h1-12,18,22,25,30H,13-17,19H2,(H,31,33)(H,32,36)(H,34,35);2-6,10H,1H3;3H2,1-2H3
• InChIKey: WZCIMLNLKOAFRJ-UHFFFAOYSA-N
• XLogP: 7.47
• TPSA: 114.70 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	656.88
LogP ≤ 5	7.47
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1H-indole;N-[3-naphthalen-1-yl-1-oxo-1-[(5-phenyl-1H-imidazol-2-yl)methylamino]propan-2-yl]piperidine-4-carboxamide;propane?

The IUPAC name of 3-methyl-1H-indole;N-[3-naphthalen-1-yl-1-oxo-1-[(5-phenyl-1H-imidazol-2-yl)methylamino]propan-2-yl]piperidine-4-carboxamide;propane (CID 142861724) is 3-methyl-1H-indole;N-[3-naphthalen-1-yl-1-oxo-1-[(5-phenyl-1H-imidazol-2-yl)methylamino]propan-2-yl]piperidine-4-carboxamide;propane.

What is the SMILES notation for 3-methyl-1H-indole;N-[3-naphthalen-1-yl-1-oxo-1-[(5-phenyl-1H-imidazol-2-yl)methylamino]propan-2-yl]piperidine-4-carboxamide;propane?

The canonical SMILES for 3-methyl-1H-indole;N-[3-naphthalen-1-yl-1-oxo-1-[(5-phenyl-1H-imidazol-2-yl)methylamino]propan-2-yl]piperidine-4-carboxamide;propane is CCC.Cc1c[nH]c2ccccc12.O=C(NC(Cc1cccc2ccccc12)C(=O)NCc1ncc(-c2ccccc2)[nH]1)C1CCNCC1.

What is the InChIKey of 3-methyl-1H-indole;N-[3-naphthalen-1-yl-1-oxo-1-[(5-phenyl-1H-imidazol-2-yl)methylamino]propan-2-yl]piperidine-4-carboxamide;propane?

The InChIKey is WZCIMLNLKOAFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O2.C9H9N.C3H8/c35-28(22-13-15-30-16-14-22)34-25(17-23-11-6-10-20-7-4-5-12-24(20)23)29(36)32-19-27-31-18-26(33-27)21-8-2-1-3-9-21;1-7-6-10-9-5-3-2-4-8(7)9;1-3-2/h1-12,18,22,25,30H,13-17,19H2,(H,31,33)(H,32,36)(H,34,35);2-6,10H,1H3;3H2,1-2H3.

What are the key properties of 3-methyl-1H-indole;N-[3-naphthalen-1-yl-1-oxo-1-[(5-phenyl-1H-imidazol-2-yl)methylamino]propan-2-yl]piperidine-4-carboxamide;propane?

3-methyl-1H-indole;N-[3-naphthalen-1-yl-1-oxo-1-[(5-phenyl-1H-imidazol-2-yl)methylamino]propan-2-yl]piperidine-4-carboxamide;propane has a molecular weight of 656.88 g/mol, XLogP of 7.47, 8 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-1H-indole;N-[3-naphthalen-1-yl-1-oxo-1-[(5-phenyl-1H-imidazol-2-yl)methylamino]propan-2-yl]piperidine-4-carboxamide;propane is sourced from PubChem (CID 142861724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).