N-cyclopropyl-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(6-methyl-2-oxo-1H-quinolin-4-yl)piperidine-3-carboxamide

C33H43N3O5 — CID 67068386

About N-cyclopropyl-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(6-methyl-2-oxo-1H-quinolin-4-yl)piperidine-3-carboxamide

N-cyclopropyl-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(6-methyl-2-oxo-1H-quinolin-4-yl)piperidine-3-carboxamide (PubChem CID 67068386) has the molecular formula C33H43N3O5 and a molecular weight of 561.72 g/mol. Its IUPAC name is N-cyclopropyl-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(6-methyl-2-oxo-1H-quinolin-4-yl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(6-methyl-2-oxo-1H-quinolin-4-yl)piperidine-3-carboxamide
• PubChem CID: 67068386
• Molecular Formula: C33H43N3O5
• Molecular Weight: 561.72 g/mol
• Exact Mass: 561.32
• IUPAC Name: N-cyclopropyl-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(6-methyl-2-oxo-1H-quinolin-4-yl)piperidine-3-carboxamide
• SMILES: COCCCc1cc(CN(C(=O)C2CNCCC2c2cc(=O)[nH]c3ccc(C)cc23)C2CC2)cc(OCCOC)c1
• InChI: InChI=1S/C33H43N3O5/c1-22-6-9-31-29(15-22)28(19-32(37)35-31)27-10-11-34-20-30(27)33(38)36(25-7-8-25)21-24-16-23(5-4-12-39-2)17-26(18-24)41-14-13-40-3/h6,9,15-19,25,27,30,34H,4-5,7-8,10-14,20-21H2,1-3H3,(H,35,37)
• InChIKey: CJJYJUQNAUFBOZ-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 92.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	561.72
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

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-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(6-methyl-2-oxo-1H-quinolin-4-yl)piperidine-3-carboxamide?

The IUPAC name of N-cyclopropyl-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(6-methyl-2-oxo-1H-quinolin-4-yl)piperidine-3-carboxamide (CID 67068386) is N-cyclopropyl-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(6-methyl-2-oxo-1H-quinolin-4-yl)piperidine-3-carboxamide.

What is the SMILES notation for N-cyclopropyl-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(6-methyl-2-oxo-1H-quinolin-4-yl)piperidine-3-carboxamide?

The canonical SMILES for N-cyclopropyl-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(6-methyl-2-oxo-1H-quinolin-4-yl)piperidine-3-carboxamide is COCCCc1cc(CN(C(=O)C2CNCCC2c2cc(=O)[nH]c3ccc(C)cc23)C2CC2)cc(OCCOC)c1.

What is the InChIKey of N-cyclopropyl-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(6-methyl-2-oxo-1H-quinolin-4-yl)piperidine-3-carboxamide?

The InChIKey is CJJYJUQNAUFBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H43N3O5/c1-22-6-9-31-29(15-22)28(19-32(37)35-31)27-10-11-34-20-30(27)33(38)36(25-7-8-25)21-24-16-23(5-4-12-39-2)17-26(18-24)41-14-13-40-3/h6,9,15-19,25,27,30,34H,4-5,7-8,10-14,20-21H2,1-3H3,(H,35,37).

What are the key properties of N-cyclopropyl-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(6-methyl-2-oxo-1H-quinolin-4-yl)piperidine-3-carboxamide?

N-cyclopropyl-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(6-methyl-2-oxo-1H-quinolin-4-yl)piperidine-3-carboxamide has a molecular weight of 561.72 g/mol, XLogP of 4.33, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(6-methyl-2-oxo-1H-quinolin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 67068386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).