N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]-5-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]piperidine-3-carboxamide

C30H44N4O3 — CID 69066967

About N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]-5-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]piperidine-3-carboxamide

N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]-5-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]piperidine-3-carboxamide (PubChem CID 69066967) has the molecular formula C30H44N4O3 and a molecular weight of 508.71 g/mol. Its IUPAC name is N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]-5-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]-5-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]piperidine-3-carboxamide
• PubChem CID: 69066967
• Molecular Formula: C30H44N4O3
• Molecular Weight: 508.71 g/mol
• Exact Mass: 508.34
• IUPAC Name: N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]-5-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]piperidine-3-carboxamide
• SMILES: COCCCn1cc(CN(C(=O)C2CNCC(NC(=O)C3C(C)(C)C3(C)C)C2)C2CC2)c2ccccc21
• InChI: InChI=1S/C30H44N4O3/c1-29(2)26(30(29,3)4)27(35)32-22-15-20(16-31-17-22)28(36)34(23-11-12-23)19-21-18-33(13-8-14-37-5)25-10-7-6-9-24(21)25/h6-7,9-10,18,20,22-23,26,31H,8,11-17,19H2,1-5H3,(H,32,35)
• InChIKey: UCLQARONXLBZQS-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 75.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.71
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]-5-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]piperidine-3-carboxamide?

The IUPAC name of N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]-5-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]piperidine-3-carboxamide (CID 69066967) is N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]-5-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]piperidine-3-carboxamide.

What is the SMILES notation for N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]-5-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]piperidine-3-carboxamide?

The canonical SMILES for N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]-5-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]piperidine-3-carboxamide is COCCCn1cc(CN(C(=O)C2CNCC(NC(=O)C3C(C)(C)C3(C)C)C2)C2CC2)c2ccccc21.

What is the InChIKey of N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]-5-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]piperidine-3-carboxamide?

The InChIKey is UCLQARONXLBZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44N4O3/c1-29(2)26(30(29,3)4)27(35)32-22-15-20(16-31-17-22)28(36)34(23-11-12-23)19-21-18-33(13-8-14-37-5)25-10-7-6-9-24(21)25/h6-7,9-10,18,20,22-23,26,31H,8,11-17,19H2,1-5H3,(H,32,35).

What are the key properties of N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]-5-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]piperidine-3-carboxamide?

N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]-5-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]piperidine-3-carboxamide has a molecular weight of 508.71 g/mol, XLogP of 3.95, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]-5-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]piperidine-3-carboxamide is sourced from PubChem (CID 69066967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).