3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-oxopiperidin-3-yl)propanamide

C17H21N3O4 — CID 71935640

IUPAC3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-oxopiperidin-3-yl)propanamide
SMILESCC1Oc2ccccc2N(CCC(=O)NC2CCCNC2=O)C1=O
InChIInChI=1S/C17H21N3O4/c1-11-17(23)20(13-6-2-3-7-14(13)24-11)10-8-15(21)19-12-5-4-9-18-16(12)22/h2-3,6-7,11-12H,4-5,8-10H2,1H3,(H,18,22)(H,19,21)
InChIKeyJBARGDRYTKGPDA-UHFFFAOYSA-N
MW331.37 g/mol
LogP0.59
Rot. Bonds4

About 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-oxopiperidin-3-yl)propanamide

3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-oxopiperidin-3-yl)propanamide (PubChem CID 71935640) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-oxopiperidin-3-yl)propanamide.

Molecular Properties

Compound Name3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-oxopiperidin-3-yl)propanamide
PubChem CID71935640
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-oxopiperidin-3-yl)propanamide
SMILESCC1Oc2ccccc2N(CCC(=O)NC2CCCNC2=O)C1=O
InChIInChI=1S/C17H21N3O4/c1-11-17(23)20(13-6-2-3-7-14(13)24-11)10-8-15(21)19-12-5-4-9-18-16(12)22/h2-3,6-7,11-12H,4-5,8-10H2,1H3,(H,18,22)(H,19,21)
InChIKeyJBARGDRYTKGPDA-UHFFFAOYSA-N
XLogP0.59
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-oxopiperidin-3-yl)propanamide?
The IUPAC name of 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-oxopiperidin-3-yl)propanamide (CID 71935640) is 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-oxopiperidin-3-yl)propanamide.
What is the SMILES notation for 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-oxopiperidin-3-yl)propanamide?
The canonical SMILES for 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-oxopiperidin-3-yl)propanamide is CC1Oc2ccccc2N(CCC(=O)NC2CCCNC2=O)C1=O.
What is the InChIKey of 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-oxopiperidin-3-yl)propanamide?
The InChIKey is JBARGDRYTKGPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-11-17(23)20(13-6-2-3-7-14(13)24-11)10-8-15(21)19-12-5-4-9-18-16(12)22/h2-3,6-7,11-12H,4-5,8-10H2,1H3,(H,18,22)(H,19,21).
What are the key properties of 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-oxopiperidin-3-yl)propanamide?
3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-oxopiperidin-3-yl)propanamide has a molecular weight of 331.37 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-oxopiperidin-3-yl)propanamide is sourced from PubChem (CID 71935640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).