[1-[2-[methyl-[5-(morpholin-4-ylmethyl)pyridine-2-carbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

C32H39N5O4 — CID 54596243

About [1-[2-[methyl-[5-(morpholin-4-ylmethyl)pyridine-2-carbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

[1-[2-[methyl-[5-(morpholin-4-ylmethyl)pyridine-2-carbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate (PubChem CID 54596243) has the molecular formula C32H39N5O4 and a molecular weight of 557.70 g/mol. Its IUPAC name is [1-[2-[methyl-[5-(morpholin-4-ylmethyl)pyridine-2-carbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate.

Molecular Properties

• Compound Name: [1-[2-[methyl-[5-(morpholin-4-ylmethyl)pyridine-2-carbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
• PubChem CID: 54596243
• Molecular Formula: C32H39N5O4
• Molecular Weight: 557.70 g/mol
• Exact Mass: 557.30
• IUPAC Name: [1-[2-[methyl-[5-(morpholin-4-ylmethyl)pyridine-2-carbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
• SMILES: CN(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)C(=O)c1ccc(CN2CCOCC2)cn1
• InChI: InChI=1S/C32H39N5O4/c1-35(31(38)30-12-11-25(23-33-30)24-37-19-21-40-22-20-37)17-18-36-15-13-27(14-16-36)41-32(39)34-29-10-6-5-9-28(29)26-7-3-2-4-8-26/h2-12,23,27H,13-22,24H2,1H3,(H,34,39)
• InChIKey: WZEZPMJEKSZBCE-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 87.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	557.70
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [1-[2-[methyl-[5-(morpholin-4-ylmethyl)pyridine-2-carbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?

The IUPAC name of [1-[2-[methyl-[5-(morpholin-4-ylmethyl)pyridine-2-carbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate (CID 54596243) is [1-[2-[methyl-[5-(morpholin-4-ylmethyl)pyridine-2-carbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate.

What is the SMILES notation for [1-[2-[methyl-[5-(morpholin-4-ylmethyl)pyridine-2-carbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?

The canonical SMILES for [1-[2-[methyl-[5-(morpholin-4-ylmethyl)pyridine-2-carbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate is CN(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)C(=O)c1ccc(CN2CCOCC2)cn1.

What is the InChIKey of [1-[2-[methyl-[5-(morpholin-4-ylmethyl)pyridine-2-carbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?

The InChIKey is WZEZPMJEKSZBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N5O4/c1-35(31(38)30-12-11-25(23-33-30)24-37-19-21-40-22-20-37)17-18-36-15-13-27(14-16-36)41-32(39)34-29-10-6-5-9-28(29)26-7-3-2-4-8-26/h2-12,23,27H,13-22,24H2,1H3,(H,34,39).

What are the key properties of [1-[2-[methyl-[5-(morpholin-4-ylmethyl)pyridine-2-carbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?

[1-[2-[methyl-[5-(morpholin-4-ylmethyl)pyridine-2-carbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate has a molecular weight of 557.70 g/mol, XLogP of 4.37, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[2-[methyl-[5-(morpholin-4-ylmethyl)pyridine-2-carbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate is sourced from PubChem (CID 54596243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).