[(E)-1-[9-ethyl-6-[(2-methylphenyl)methyl]carbazol-3-yl]ethylideneamino] 2-methyl-2-piperidin-1-ylpropanoate

C33H39N3O2 — CID 146507113

About [(E)-1-[9-ethyl-6-[(2-methylphenyl)methyl]carbazol-3-yl]ethylideneamino] 2-methyl-2-piperidin-1-ylpropanoate

[(E)-1-[9-ethyl-6-[(2-methylphenyl)methyl]carbazol-3-yl]ethylideneamino] 2-methyl-2-piperidin-1-ylpropanoate (PubChem CID 146507113) has the molecular formula C33H39N3O2 and a molecular weight of 509.69 g/mol. Its IUPAC name is [(E)-1-[9-ethyl-6-[(2-methylphenyl)methyl]carbazol-3-yl]ethylideneamino] 2-methyl-2-piperidin-1-ylpropanoate.

Molecular Properties

• Compound Name: [(E)-1-[9-ethyl-6-[(2-methylphenyl)methyl]carbazol-3-yl]ethylideneamino] 2-methyl-2-piperidin-1-ylpropanoate
• PubChem CID: 146507113
• Molecular Formula: C33H39N3O2
• Molecular Weight: 509.69 g/mol
• Exact Mass: 509.30
• IUPAC Name: [(E)-1-[9-ethyl-6-[(2-methylphenyl)methyl]carbazol-3-yl]ethylideneamino] 2-methyl-2-piperidin-1-ylpropanoate
• SMILES: CCn1c2ccc(Cc3ccccc3C)cc2c2cc(/C(C)=N/OC(=O)C(C)(C)N3CCCCC3)ccc21
• InChI: InChI=1S/C33H39N3O2/c1-6-36-30-16-14-25(20-26-13-9-8-12-23(26)2)21-28(30)29-22-27(15-17-31(29)36)24(3)34-38-32(37)33(4,5)35-18-10-7-11-19-35/h8-9,12-17,21-22H,6-7,10-11,18-20H2,1-5H3/b34-24+
• InChIKey: CXHAJZBSYUDVSF-JGRMKTMXSA-N
• XLogP: 7.25
• TPSA: 46.83 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.69
LogP ≤ 5	7.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(E)-1-[9-ethyl-6-[(2-methylphenyl)methyl]carbazol-3-yl]ethylideneamino] 2-methyl-2-piperidin-1-ylpropanoate?

The IUPAC name of [(E)-1-[9-ethyl-6-[(2-methylphenyl)methyl]carbazol-3-yl]ethylideneamino] 2-methyl-2-piperidin-1-ylpropanoate (CID 146507113) is [(E)-1-[9-ethyl-6-[(2-methylphenyl)methyl]carbazol-3-yl]ethylideneamino] 2-methyl-2-piperidin-1-ylpropanoate.

What is the SMILES notation for [(E)-1-[9-ethyl-6-[(2-methylphenyl)methyl]carbazol-3-yl]ethylideneamino] 2-methyl-2-piperidin-1-ylpropanoate?

The canonical SMILES for [(E)-1-[9-ethyl-6-[(2-methylphenyl)methyl]carbazol-3-yl]ethylideneamino] 2-methyl-2-piperidin-1-ylpropanoate is CCn1c2ccc(Cc3ccccc3C)cc2c2cc(/C(C)=N/OC(=O)C(C)(C)N3CCCCC3)ccc21.

What is the InChIKey of [(E)-1-[9-ethyl-6-[(2-methylphenyl)methyl]carbazol-3-yl]ethylideneamino] 2-methyl-2-piperidin-1-ylpropanoate?

The InChIKey is CXHAJZBSYUDVSF-JGRMKTMXSA-N. The full InChI is InChI=1S/C33H39N3O2/c1-6-36-30-16-14-25(20-26-13-9-8-12-23(26)2)21-28(30)29-22-27(15-17-31(29)36)24(3)34-38-32(37)33(4,5)35-18-10-7-11-19-35/h8-9,12-17,21-22H,6-7,10-11,18-20H2,1-5H3/b34-24+.

What are the key properties of [(E)-1-[9-ethyl-6-[(2-methylphenyl)methyl]carbazol-3-yl]ethylideneamino] 2-methyl-2-piperidin-1-ylpropanoate?

[(E)-1-[9-ethyl-6-[(2-methylphenyl)methyl]carbazol-3-yl]ethylideneamino] 2-methyl-2-piperidin-1-ylpropanoate has a molecular weight of 509.69 g/mol, XLogP of 7.25, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(E)-1-[9-ethyl-6-[(2-methylphenyl)methyl]carbazol-3-yl]ethylideneamino] 2-methyl-2-piperidin-1-ylpropanoate is sourced from PubChem (CID 146507113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).