1-(2-ethyl-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide

C26H33N3O4 — CID 22521712

About 1-(2-ethyl-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide

1-(2-ethyl-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 22521712) has the molecular formula C26H33N3O4 and a molecular weight of 451.57 g/mol. Its IUPAC name is 1-(2-ethyl-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(2-ethyl-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
• PubChem CID: 22521712
• Molecular Formula: C26H33N3O4
• Molecular Weight: 451.57 g/mol
• Exact Mass: 451.25
• IUPAC Name: 1-(2-ethyl-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
• SMILES: CCC1CN(C(=O)N2CCC(C(=O)NCc3ccccc3OC)CC2)c2cc(C)ccc2O1
• InChI: InChI=1S/C26H33N3O4/c1-4-21-17-29(22-15-18(2)9-10-24(22)33-21)26(31)28-13-11-19(12-14-28)25(30)27-16-20-7-5-6-8-23(20)32-3/h5-10,15,19,21H,4,11-14,16-17H2,1-3H3,(H,27,30)
• InChIKey: XOGFVZCBRUNBKI-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 71.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.57
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide?

The IUPAC name of 1-(2-ethyl-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide (CID 22521712) is 1-(2-ethyl-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-(2-ethyl-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide?

The canonical SMILES for 1-(2-ethyl-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide is CCC1CN(C(=O)N2CCC(C(=O)NCc3ccccc3OC)CC2)c2cc(C)ccc2O1.

What is the InChIKey of 1-(2-ethyl-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide?

The InChIKey is XOGFVZCBRUNBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4/c1-4-21-17-29(22-15-18(2)9-10-24(22)33-21)26(31)28-13-11-19(12-14-28)25(30)27-16-20-7-5-6-8-23(20)32-3/h5-10,15,19,21H,4,11-14,16-17H2,1-3H3,(H,27,30).

What are the key properties of 1-(2-ethyl-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide?

1-(2-ethyl-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 451.57 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-ethyl-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 22521712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).