6-(2-oxo-2-piperidin-1-ylethyl)-4H-1,4-benzoxazin-3-one

C15H18N2O3 — CID 59802876

IUPAC6-(2-oxo-2-piperidin-1-ylethyl)-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(CC(=O)N3CCCCC3)cc2N1
InChIInChI=1S/C15H18N2O3/c18-14-10-20-13-5-4-11(8-12(13)16-14)9-15(19)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,9-10H2,(H,16,18)
InChIKeyAFHYAYYYLCYJPX-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.57
Rot. Bonds2

About 6-(2-oxo-2-piperidin-1-ylethyl)-4H-1,4-benzoxazin-3-one

6-(2-oxo-2-piperidin-1-ylethyl)-4H-1,4-benzoxazin-3-one (PubChem CID 59802876) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 6-(2-oxo-2-piperidin-1-ylethyl)-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-(2-oxo-2-piperidin-1-ylethyl)-4H-1,4-benzoxazin-3-one
PubChem CID59802876
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name6-(2-oxo-2-piperidin-1-ylethyl)-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(CC(=O)N3CCCCC3)cc2N1
InChIInChI=1S/C15H18N2O3/c18-14-10-20-13-5-4-11(8-12(13)16-14)9-15(19)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,9-10H2,(H,16,18)
InChIKeyAFHYAYYYLCYJPX-UHFFFAOYSA-N
XLogP1.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(2-oxo-2-piperidin-1-ylethyl)-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 110770706
6-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one
CID 110801707
6-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one
CID 110801255
1-(3-oxo-4H-1,4-benzoxazin-6-yl)-4-piperidin-1-ylbutane-1,4-dione
CID 110344918
6-(3-chloro-2-oxopropyl)-4H-1,4-benzoxazin-3-one
CID 140510759
6-[2-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one
CID 56744741
2-methyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)-4H-1,4-benzoxazin-3-one
CID 110770503
2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetohydrazide
CID 19002730
6-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 55442082
6-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-4H-1,4-benzoxazin-3-one
CID 110390255
6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
CID 53064938
4-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperazine-1-carboxylic acid
CID 66716813

Frequently Asked Questions

What is the IUPAC name of 6-(2-oxo-2-piperidin-1-ylethyl)-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-(2-oxo-2-piperidin-1-ylethyl)-4H-1,4-benzoxazin-3-one (CID 59802876) is 6-(2-oxo-2-piperidin-1-ylethyl)-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-(2-oxo-2-piperidin-1-ylethyl)-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-(2-oxo-2-piperidin-1-ylethyl)-4H-1,4-benzoxazin-3-one is O=C1COc2ccc(CC(=O)N3CCCCC3)cc2N1.
What is the InChIKey of 6-(2-oxo-2-piperidin-1-ylethyl)-4H-1,4-benzoxazin-3-one?
The InChIKey is AFHYAYYYLCYJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-14-10-20-13-5-4-11(8-12(13)16-14)9-15(19)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,9-10H2,(H,16,18).
What are the key properties of 6-(2-oxo-2-piperidin-1-ylethyl)-4H-1,4-benzoxazin-3-one?
6-(2-oxo-2-piperidin-1-ylethyl)-4H-1,4-benzoxazin-3-one has a molecular weight of 274.32 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-oxo-2-piperidin-1-ylethyl)-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 59802876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).