4-amino-5-chloro-2-ethoxy-N-[[4-[[1-(imidazole-1-carbonyl)piperidin-4-yl]methyl]morpholin-2-yl]methyl]benzamide

C24H33ClN6O4 — CID 59510491

About 4-amino-5-chloro-2-ethoxy-N-[[4-[[1-(imidazole-1-carbonyl)piperidin-4-yl]methyl]morpholin-2-yl]methyl]benzamide

4-amino-5-chloro-2-ethoxy-N-[[4-[[1-(imidazole-1-carbonyl)piperidin-4-yl]methyl]morpholin-2-yl]methyl]benzamide (PubChem CID 59510491) has the molecular formula C24H33ClN6O4 and a molecular weight of 505.02 g/mol. Its IUPAC name is 4-amino-5-chloro-2-ethoxy-N-[[4-[[1-(imidazole-1-carbonyl)piperidin-4-yl]methyl]morpholin-2-yl]methyl]benzamide.

Molecular Properties

• Compound Name: 4-amino-5-chloro-2-ethoxy-N-[[4-[[1-(imidazole-1-carbonyl)piperidin-4-yl]methyl]morpholin-2-yl]methyl]benzamide
• PubChem CID: 59510491
• Molecular Formula: C24H33ClN6O4
• Molecular Weight: 505.02 g/mol
• Exact Mass: 504.23
• IUPAC Name: 4-amino-5-chloro-2-ethoxy-N-[[4-[[1-(imidazole-1-carbonyl)piperidin-4-yl]methyl]morpholin-2-yl]methyl]benzamide
• SMILES: CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(CC2CCN(C(=O)n3ccnc3)CC2)CCO1
• InChI: InChI=1S/C24H33ClN6O4/c1-2-34-22-12-21(26)20(25)11-19(22)23(32)28-13-18-15-29(9-10-35-18)14-17-3-6-30(7-4-17)24(33)31-8-5-27-16-31/h5,8,11-12,16-18H,2-4,6-7,9-10,13-15,26H2,1H3,(H,28,32)
• InChIKey: PWCLIECGUMTGGD-UHFFFAOYSA-N
• XLogP: 2.33
• TPSA: 114.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.02
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-2-ethoxy-N-[[4-[[1-(imidazole-1-carbonyl)piperidin-4-yl]methyl]morpholin-2-yl]methyl]benzamide?

The IUPAC name of 4-amino-5-chloro-2-ethoxy-N-[[4-[[1-(imidazole-1-carbonyl)piperidin-4-yl]methyl]morpholin-2-yl]methyl]benzamide (CID 59510491) is 4-amino-5-chloro-2-ethoxy-N-[[4-[[1-(imidazole-1-carbonyl)piperidin-4-yl]methyl]morpholin-2-yl]methyl]benzamide.

What is the SMILES notation for 4-amino-5-chloro-2-ethoxy-N-[[4-[[1-(imidazole-1-carbonyl)piperidin-4-yl]methyl]morpholin-2-yl]methyl]benzamide?

The canonical SMILES for 4-amino-5-chloro-2-ethoxy-N-[[4-[[1-(imidazole-1-carbonyl)piperidin-4-yl]methyl]morpholin-2-yl]methyl]benzamide is CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(CC2CCN(C(=O)n3ccnc3)CC2)CCO1.

What is the InChIKey of 4-amino-5-chloro-2-ethoxy-N-[[4-[[1-(imidazole-1-carbonyl)piperidin-4-yl]methyl]morpholin-2-yl]methyl]benzamide?

The InChIKey is PWCLIECGUMTGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33ClN6O4/c1-2-34-22-12-21(26)20(25)11-19(22)23(32)28-13-18-15-29(9-10-35-18)14-17-3-6-30(7-4-17)24(33)31-8-5-27-16-31/h5,8,11-12,16-18H,2-4,6-7,9-10,13-15,26H2,1H3,(H,28,32).

What are the key properties of 4-amino-5-chloro-2-ethoxy-N-[[4-[[1-(imidazole-1-carbonyl)piperidin-4-yl]methyl]morpholin-2-yl]methyl]benzamide?

4-amino-5-chloro-2-ethoxy-N-[[4-[[1-(imidazole-1-carbonyl)piperidin-4-yl]methyl]morpholin-2-yl]methyl]benzamide has a molecular weight of 505.02 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-5-chloro-2-ethoxy-N-[[4-[[1-(imidazole-1-carbonyl)piperidin-4-yl]methyl]morpholin-2-yl]methyl]benzamide is sourced from PubChem (CID 59510491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).