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

C26H33N3O4 — CID 22521687

IUPAC1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide
SMILESCCC1CN(C(=O)N2CCC(C(=O)NCCc3ccccc3OC)CC2)c2ccccc2O1
InChIInChI=1S/C26H33N3O4/c1-3-21-18-29(22-9-5-7-11-24(22)33-21)26(31)28-16-13-20(14-17-28)25(30)27-15-12-19-8-4-6-10-23(19)32-2/h4-11,20-21H,3,12-18H2,1-2H3,(H,27,30)
InChIKeyIFPWHBRWQRRVEY-UHFFFAOYSA-N
MW451.57 g/mol
LogP3.86
Rot. Bonds6

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

1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 22521687) has the molecular formula C26H33N3O4 and a molecular weight of 451.57 g/mol. Its IUPAC name is 1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide
PubChem CID22521687
Molecular FormulaC26H33N3O4
Molecular Weight451.57 g/mol
Exact Mass451.25
IUPAC Name1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide
SMILESCCC1CN(C(=O)N2CCC(C(=O)NCCc3ccccc3OC)CC2)c2ccccc2O1
InChIInChI=1S/C26H33N3O4/c1-3-21-18-29(22-9-5-7-11-24(22)33-21)26(31)28-16-13-20(14-17-28)25(30)27-15-12-19-8-4-6-10-23(19)32-2/h4-11,20-21H,3,12-18H2,1-2H3,(H,27,30)
InChIKeyIFPWHBRWQRRVEY-UHFFFAOYSA-N
XLogP3.86
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]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-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide (CID 22521687) is 1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide is CCC1CN(C(=O)N2CCC(C(=O)NCCc3ccccc3OC)CC2)c2ccccc2O1.
What is the InChIKey of 1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is IFPWHBRWQRRVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4/c1-3-21-18-29(22-9-5-7-11-24(22)33-21)26(31)28-16-13-20(14-17-28)25(30)27-15-12-19-8-4-6-10-23(19)32-2/h4-11,20-21H,3,12-18H2,1-2H3,(H,27,30).
What are the key properties of 1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide?
1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 451.57 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 22521687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).