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

C26H33N3O4 — CID 22521288

IUPAC1-(2,6-dimethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[(2-ethoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCCOc1ccccc1CNC(=O)C1CCN(C(=O)N2CC(C)Oc3ccc(C)cc32)CC1
InChIInChI=1S/C26H33N3O4/c1-4-32-23-8-6-5-7-21(23)16-27-25(30)20-11-13-28(14-12-20)26(31)29-17-19(3)33-24-10-9-18(2)15-22(24)29/h5-10,15,19-20H,4,11-14,16-17H2,1-3H3,(H,27,30)
InChIKeyBUOUODOMPIBUJB-UHFFFAOYSA-N
MW451.57 g/mol
LogP4.13
Rot. Bonds5

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

1-(2,6-dimethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[(2-ethoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 22521288) has the molecular formula C26H33N3O4 and a molecular weight of 451.57 g/mol. Its IUPAC name is 1-(2,6-dimethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[(2-ethoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,6-dimethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[(2-ethoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID22521288
Molecular FormulaC26H33N3O4
Molecular Weight451.57 g/mol
Exact Mass451.25
IUPAC Name1-(2,6-dimethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[(2-ethoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCCOc1ccccc1CNC(=O)C1CCN(C(=O)N2CC(C)Oc3ccc(C)cc32)CC1
InChIInChI=1S/C26H33N3O4/c1-4-32-23-8-6-5-7-21(23)16-27-25(30)20-11-13-28(14-12-20)26(31)29-17-19(3)33-24-10-9-18(2)15-22(24)29/h5-10,15,19-20H,4,11-14,16-17H2,1-3H3,(H,27,30)
InChIKeyBUOUODOMPIBUJB-UHFFFAOYSA-N
XLogP4.13
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,6-dimethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[(2-ethoxyphenyl)methyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[(2-ethoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,6-dimethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[(2-ethoxyphenyl)methyl]piperidine-4-carboxamide (CID 22521288) is 1-(2,6-dimethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[(2-ethoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,6-dimethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[(2-ethoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,6-dimethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[(2-ethoxyphenyl)methyl]piperidine-4-carboxamide is CCOc1ccccc1CNC(=O)C1CCN(C(=O)N2CC(C)Oc3ccc(C)cc32)CC1.
What is the InChIKey of 1-(2,6-dimethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[(2-ethoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is BUOUODOMPIBUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4/c1-4-32-23-8-6-5-7-21(23)16-27-25(30)20-11-13-28(14-12-20)26(31)29-17-19(3)33-24-10-9-18(2)15-22(24)29/h5-10,15,19-20H,4,11-14,16-17H2,1-3H3,(H,27,30).
What are the key properties of 1-(2,6-dimethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[(2-ethoxyphenyl)methyl]piperidine-4-carboxamide?
1-(2,6-dimethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[(2-ethoxyphenyl)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-(2,6-dimethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[(2-ethoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 22521288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).