4-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-oxopiperidine-4-carboxamide

C16H19N3O4 — CID 136570612

IUPAC4-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-oxopiperidine-4-carboxamide
SMILESCN1C(=O)COc2cccc(NC(=O)C3(C)CCNC(=O)C3)c21
InChIInChI=1S/C16H19N3O4/c1-16(6-7-17-12(20)8-16)15(22)18-10-4-3-5-11-14(10)19(2)13(21)9-23-11/h3-5H,6-9H2,1-2H3,(H,17,20)(H,18,22)
InChIKeyPFBFYURXVKQRQH-UHFFFAOYSA-N
MW317.35 g/mol
LogP0.90
Rot. Bonds2

About 4-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-oxopiperidine-4-carboxamide

4-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-oxopiperidine-4-carboxamide (PubChem CID 136570612) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 4-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-oxopiperidine-4-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-oxopiperidine-4-carboxamide
PubChem CID136570612
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name4-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-oxopiperidine-4-carboxamide
SMILESCN1C(=O)COc2cccc(NC(=O)C3(C)CCNC(=O)C3)c21
InChIInChI=1S/C16H19N3O4/c1-16(6-7-17-12(20)8-16)15(22)18-10-4-3-5-11-14(10)19(2)13(21)9-23-11/h3-5H,6-9H2,1-2H3,(H,17,20)(H,18,22)
InChIKeyPFBFYURXVKQRQH-UHFFFAOYSA-N
XLogP0.90
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-oxopiperidine-4-carboxamide?
The IUPAC name of 4-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-oxopiperidine-4-carboxamide (CID 136570612) is 4-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-oxopiperidine-4-carboxamide.
What is the SMILES notation for 4-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-oxopiperidine-4-carboxamide?
The canonical SMILES for 4-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-oxopiperidine-4-carboxamide is CN1C(=O)COc2cccc(NC(=O)C3(C)CCNC(=O)C3)c21.
What is the InChIKey of 4-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-oxopiperidine-4-carboxamide?
The InChIKey is PFBFYURXVKQRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-16(6-7-17-12(20)8-16)15(22)18-10-4-3-5-11-14(10)19(2)13(21)9-23-11/h3-5H,6-9H2,1-2H3,(H,17,20)(H,18,22).
What are the key properties of 4-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-oxopiperidine-4-carboxamide?
4-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-oxopiperidine-4-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-oxopiperidine-4-carboxamide is sourced from PubChem (CID 136570612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).