[1-[2-[methyl-[3-[3-(methylamino)propanoylamino]benzoyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

C32H39N5O4 — CID 11853710

About [1-[2-[methyl-[3-[3-(methylamino)propanoylamino]benzoyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

[1-[2-[methyl-[3-[3-(methylamino)propanoylamino]benzoyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate (PubChem CID 11853710) has the molecular formula C32H39N5O4 and a molecular weight of 557.70 g/mol. Its IUPAC name is [1-[2-[methyl-[3-[3-(methylamino)propanoylamino]benzoyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate.

Molecular Properties

• Compound Name: [1-[2-[methyl-[3-[3-(methylamino)propanoylamino]benzoyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
• PubChem CID: 11853710
• Molecular Formula: C32H39N5O4
• Molecular Weight: 557.70 g/mol
• Exact Mass: 557.30
• IUPAC Name: [1-[2-[methyl-[3-[3-(methylamino)propanoylamino]benzoyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
• SMILES: CNCCC(=O)Nc1cccc(C(=O)N(C)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c1
• InChI: InChI=1S/C32H39N5O4/c1-33-18-15-30(38)34-26-12-8-11-25(23-26)31(39)36(2)21-22-37-19-16-27(17-20-37)41-32(40)35-29-14-7-6-13-28(29)24-9-4-3-5-10-24/h3-14,23,27,33H,15-22H2,1-2H3,(H,34,38)(H,35,40)
• InChIKey: NUVZGSWETLHLHP-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 103.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	557.70
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [1-[2-[methyl-[3-[3-(methylamino)propanoylamino]benzoyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?

The IUPAC name of [1-[2-[methyl-[3-[3-(methylamino)propanoylamino]benzoyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate (CID 11853710) is [1-[2-[methyl-[3-[3-(methylamino)propanoylamino]benzoyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate.

What is the SMILES notation for [1-[2-[methyl-[3-[3-(methylamino)propanoylamino]benzoyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?

The canonical SMILES for [1-[2-[methyl-[3-[3-(methylamino)propanoylamino]benzoyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate is CNCCC(=O)Nc1cccc(C(=O)N(C)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c1.

What is the InChIKey of [1-[2-[methyl-[3-[3-(methylamino)propanoylamino]benzoyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?

The InChIKey is NUVZGSWETLHLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N5O4/c1-33-18-15-30(38)34-26-12-8-11-25(23-26)31(39)36(2)21-22-37-19-16-27(17-20-37)41-32(40)35-29-14-7-6-13-28(29)24-9-4-3-5-10-24/h3-14,23,27,33H,15-22H2,1-2H3,(H,34,38)(H,35,40).

What are the key properties of [1-[2-[methyl-[3-[3-(methylamino)propanoylamino]benzoyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?

[1-[2-[methyl-[3-[3-(methylamino)propanoylamino]benzoyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate has a molecular weight of 557.70 g/mol, XLogP of 4.69, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[2-[methyl-[3-[3-(methylamino)propanoylamino]benzoyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate is sourced from PubChem (CID 11853710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).