4-cyclohexyl-1-[2-[(2R)-2-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxybenzoyl)morpholin-2-yl]ethyl]piperidine-4-carboxylic acid;morpholine-4-carboxamide

C39H54Cl2N4O9 — CID 70297357

About 4-cyclohexyl-1-[2-[(2R)-2-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxybenzoyl)morpholin-2-yl]ethyl]piperidine-4-carboxylic acid;morpholine-4-carboxamide

4-cyclohexyl-1-[2-[(2R)-2-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxybenzoyl)morpholin-2-yl]ethyl]piperidine-4-carboxylic acid;morpholine-4-carboxamide (PubChem CID 70297357) has the molecular formula C39H54Cl2N4O9 and a molecular weight of 793.79 g/mol. Its IUPAC name is 4-cyclohexyl-1-[2-[(2R)-2-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxybenzoyl)morpholin-2-yl]ethyl]piperidine-4-carboxylic acid;morpholine-4-carboxamide.

Molecular Properties

• Compound Name: 4-cyclohexyl-1-[2-[(2R)-2-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxybenzoyl)morpholin-2-yl]ethyl]piperidine-4-carboxylic acid;morpholine-4-carboxamide
• PubChem CID: 70297357
• Molecular Formula: C39H54Cl2N4O9
• Molecular Weight: 793.79 g/mol
• Exact Mass: 792.33
• IUPAC Name: 4-cyclohexyl-1-[2-[(2R)-2-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxybenzoyl)morpholin-2-yl]ethyl]piperidine-4-carboxylic acid;morpholine-4-carboxamide
• SMILES: COc1cc(C(=O)N2CCO[C@](CCN3CCC(C(=O)O)(C4CCCCC4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC.NC(=O)N1CCOCC1
• InChI: InChI=1S/C34H44Cl2N2O7.C5H10N2O2/c1-42-28-19-23(20-29(43-2)30(28)44-3)31(39)38-17-18-45-34(22-38,25-9-10-26(35)27(36)21-25)13-16-37-14-11-33(12-15-37,32(40)41)24-7-5-4-6-8-24;6-5(8)7-1-3-9-4-2-7/h9-10,19-21,24H,4-8,11-18,22H2,1-3H3,(H,40,41);1-4H2,(H2,6,8)/t34-;/m0./s1
• InChIKey: MXNOHAMBAZEVJJ-GXUZKUJRSA-N
• XLogP: 5.92
• TPSA: 153.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	793.79
LogP ≤ 5	5.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1-[2-[(2R)-2-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxybenzoyl)morpholin-2-yl]ethyl]piperidine-4-carboxylic acid;morpholine-4-carboxamide?

The IUPAC name of 4-cyclohexyl-1-[2-[(2R)-2-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxybenzoyl)morpholin-2-yl]ethyl]piperidine-4-carboxylic acid;morpholine-4-carboxamide (CID 70297357) is 4-cyclohexyl-1-[2-[(2R)-2-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxybenzoyl)morpholin-2-yl]ethyl]piperidine-4-carboxylic acid;morpholine-4-carboxamide.

What is the SMILES notation for 4-cyclohexyl-1-[2-[(2R)-2-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxybenzoyl)morpholin-2-yl]ethyl]piperidine-4-carboxylic acid;morpholine-4-carboxamide?

The canonical SMILES for 4-cyclohexyl-1-[2-[(2R)-2-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxybenzoyl)morpholin-2-yl]ethyl]piperidine-4-carboxylic acid;morpholine-4-carboxamide is COc1cc(C(=O)N2CCO[C@](CCN3CCC(C(=O)O)(C4CCCCC4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC.NC(=O)N1CCOCC1.

What is the InChIKey of 4-cyclohexyl-1-[2-[(2R)-2-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxybenzoyl)morpholin-2-yl]ethyl]piperidine-4-carboxylic acid;morpholine-4-carboxamide?

The InChIKey is MXNOHAMBAZEVJJ-GXUZKUJRSA-N. The full InChI is InChI=1S/C34H44Cl2N2O7.C5H10N2O2/c1-42-28-19-23(20-29(43-2)30(28)44-3)31(39)38-17-18-45-34(22-38,25-9-10-26(35)27(36)21-25)13-16-37-14-11-33(12-15-37,32(40)41)24-7-5-4-6-8-24;6-5(8)7-1-3-9-4-2-7/h9-10,19-21,24H,4-8,11-18,22H2,1-3H3,(H,40,41);1-4H2,(H2,6,8)/t34-;/m0./s1.

What are the key properties of 4-cyclohexyl-1-[2-[(2R)-2-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxybenzoyl)morpholin-2-yl]ethyl]piperidine-4-carboxylic acid;morpholine-4-carboxamide?

4-cyclohexyl-1-[2-[(2R)-2-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxybenzoyl)morpholin-2-yl]ethyl]piperidine-4-carboxylic acid;morpholine-4-carboxamide has a molecular weight of 793.79 g/mol, XLogP of 5.92, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclohexyl-1-[2-[(2R)-2-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxybenzoyl)morpholin-2-yl]ethyl]piperidine-4-carboxylic acid;morpholine-4-carboxamide is sourced from PubChem (CID 70297357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).