N-methyl-1-(2-morpholin-4-ylethyl)-6-oxo-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide

C23H30N4O4 — CID 45237275

About N-methyl-1-(2-morpholin-4-ylethyl)-6-oxo-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide

N-methyl-1-(2-morpholin-4-ylethyl)-6-oxo-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide (PubChem CID 45237275) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-methyl-1-(2-morpholin-4-ylethyl)-6-oxo-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-methyl-1-(2-morpholin-4-ylethyl)-6-oxo-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
• PubChem CID: 45237275
• Molecular Formula: C23H30N4O4
• Molecular Weight: 426.52 g/mol
• Exact Mass: 426.23
• IUPAC Name: N-methyl-1-(2-morpholin-4-ylethyl)-6-oxo-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
• SMILES: CN(Cc1cc(-c2ccccc2)no1)C(=O)C1CCC(=O)N(CCN2CCOCC2)C1
• InChI: InChI=1S/C23H30N4O4/c1-25(17-20-15-21(24-31-20)18-5-3-2-4-6-18)23(29)19-7-8-22(28)27(16-19)10-9-26-11-13-30-14-12-26/h2-6,15,19H,7-14,16-17H2,1H3
• InChIKey: ROFCFJIHGZRUGX-UHFFFAOYSA-N
• XLogP: 1.87
• TPSA: 79.12 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.52
LogP ≤ 5	1.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-morpholin-4-ylethyl)-6-oxo-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide?

The IUPAC name of N-methyl-1-(2-morpholin-4-ylethyl)-6-oxo-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide (CID 45237275) is N-methyl-1-(2-morpholin-4-ylethyl)-6-oxo-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide.

What is the SMILES notation for N-methyl-1-(2-morpholin-4-ylethyl)-6-oxo-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide?

The canonical SMILES for N-methyl-1-(2-morpholin-4-ylethyl)-6-oxo-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide is CN(Cc1cc(-c2ccccc2)no1)C(=O)C1CCC(=O)N(CCN2CCOCC2)C1.

What is the InChIKey of N-methyl-1-(2-morpholin-4-ylethyl)-6-oxo-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide?

The InChIKey is ROFCFJIHGZRUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-25(17-20-15-21(24-31-20)18-5-3-2-4-6-18)23(29)19-7-8-22(28)27(16-19)10-9-26-11-13-30-14-12-26/h2-6,15,19H,7-14,16-17H2,1H3.

What are the key properties of N-methyl-1-(2-morpholin-4-ylethyl)-6-oxo-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide?

N-methyl-1-(2-morpholin-4-ylethyl)-6-oxo-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 1.87, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-1-(2-morpholin-4-ylethyl)-6-oxo-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 45237275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).