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

C22H25N3O3 — CID 11653760

IUPAC1-(2,3-dimethylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide
SMILESCc1cccc(N2CCC(C(=O)Nc3ccc4c(c3)NC(=O)CO4)CC2)c1C
InChIInChI=1S/C22H25N3O3/c1-14-4-3-5-19(15(14)2)25-10-8-16(9-11-25)22(27)23-17-6-7-20-18(12-17)24-21(26)13-28-20/h3-7,12,16H,8-11,13H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyLWHWFUUDKRUCSU-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.49
Rot. Bonds3

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

1-(2,3-dimethylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide (PubChem CID 11653760) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide
PubChem CID11653760
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name1-(2,3-dimethylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide
SMILESCc1cccc(N2CCC(C(=O)Nc3ccc4c(c3)NC(=O)CO4)CC2)c1C
InChIInChI=1S/C22H25N3O3/c1-14-4-3-5-19(15(14)2)25-10-8-16(9-11-25)22(27)23-17-6-7-20-18(12-17)24-21(26)13-28-20/h3-7,12,16H,8-11,13H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyLWHWFUUDKRUCSU-UHFFFAOYSA-N
XLogP3.49
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2,3-dimethylphenyl)-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-(2,3-dimethylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,3-dimethylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide (CID 11653760) is 1-(2,3-dimethylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,3-dimethylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide is Cc1cccc(N2CCC(C(=O)Nc3ccc4c(c3)NC(=O)CO4)CC2)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide?
The InChIKey is LWHWFUUDKRUCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-14-4-3-5-19(15(14)2)25-10-8-16(9-11-25)22(27)23-17-6-7-20-18(12-17)24-21(26)13-28-20/h3-7,12,16H,8-11,13H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of 1-(2,3-dimethylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide?
1-(2,3-dimethylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide is sourced from PubChem (CID 11653760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).