1-(2-methylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide

C21H23N3O3 — CID 11717565

IUPAC1-(2-methylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide
SMILESCc1ccccc1N1CCC(C(=O)Nc2ccc3c(c2)NC(=O)CO3)CC1
InChIInChI=1S/C21H23N3O3/c1-14-4-2-3-5-18(14)24-10-8-15(9-11-24)21(26)22-16-6-7-19-17(12-16)23-20(25)13-27-19/h2-7,12,15H,8-11,13H2,1H3,(H,22,26)(H,23,25)
InChIKeyPTLKLRUAHYFNGA-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.18
Rot. Bonds3

About 1-(2-methylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide

1-(2-methylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide (PubChem CID 11717565) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-methylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide
PubChem CID11717565
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name1-(2-methylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide
SMILESCc1ccccc1N1CCC(C(=O)Nc2ccc3c(c2)NC(=O)CO3)CC1
InChIInChI=1S/C21H23N3O3/c1-14-4-2-3-5-18(14)24-10-8-15(9-11-24)21(26)22-16-6-7-19-17(12-16)23-20(25)13-27-19/h2-7,12,15H,8-11,13H2,1H3,(H,22,26)(H,23,25)
InChIKeyPTLKLRUAHYFNGA-UHFFFAOYSA-N
XLogP3.18
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-methylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)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-methylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-methylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide (CID 11717565) is 1-(2-methylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-methylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-methylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide is Cc1ccccc1N1CCC(C(=O)Nc2ccc3c(c2)NC(=O)CO3)CC1.
What is the InChIKey of 1-(2-methylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide?
The InChIKey is PTLKLRUAHYFNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14-4-2-3-5-18(14)24-10-8-15(9-11-24)21(26)22-16-6-7-19-17(12-16)23-20(25)13-27-19/h2-7,12,15H,8-11,13H2,1H3,(H,22,26)(H,23,25).
What are the key properties of 1-(2-methylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide?
1-(2-methylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide is sourced from PubChem (CID 11717565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).