6-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one

C20H25N3O4 — CID 110801707

IUPAC6-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(CC(=O)N3CCN(C(=O)C4CCCC4)CC3)cc2N1
InChIInChI=1S/C20H25N3O4/c24-18-13-27-17-6-5-14(11-16(17)21-18)12-19(25)22-7-9-23(10-8-22)20(26)15-3-1-2-4-15/h5-6,11,15H,1-4,7-10,12-13H2,(H,21,24)
InChIKeyPIJZEDFTUCUYRH-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.42
Rot. Bonds3

About 6-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one

6-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one (PubChem CID 110801707) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 6-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one
PubChem CID110801707
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name6-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(CC(=O)N3CCN(C(=O)C4CCCC4)CC3)cc2N1
InChIInChI=1S/C20H25N3O4/c24-18-13-27-17-6-5-14(11-16(17)21-18)12-19(25)22-7-9-23(10-8-22)20(26)15-3-1-2-4-15/h5-6,11,15H,1-4,7-10,12-13H2,(H,21,24)
InChIKeyPIJZEDFTUCUYRH-UHFFFAOYSA-N
XLogP1.42
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one with MolForge

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Related Compounds

6-(2-oxo-2-piperidin-1-ylethyl)-4H-1,4-benzoxazin-3-one
CID 59802876
6-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one
CID 110801255
6-[2-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one
CID 56744741
7-(2-oxo-2-piperidin-1-ylethyl)-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 110770706
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
CID 110803856
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 110801709
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 110801124
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-2-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 110807578
2-(1,3-benzoxazol-6-yl)-1-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethanone
CID 110801713
6-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-4H-1,4-benzoxazin-3-one
CID 110390255
6-(3-chloro-2-oxopropyl)-4H-1,4-benzoxazin-3-one
CID 140510759
6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
CID 53064938

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one (CID 110801707) is 6-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one is O=C1COc2ccc(CC(=O)N3CCN(C(=O)C4CCCC4)CC3)cc2N1.
What is the InChIKey of 6-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one?
The InChIKey is PIJZEDFTUCUYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c24-18-13-27-17-6-5-14(11-16(17)21-18)12-19(25)22-7-9-23(10-8-22)20(26)15-3-1-2-4-15/h5-6,11,15H,1-4,7-10,12-13H2,(H,21,24).
What are the key properties of 6-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one?
6-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one has a molecular weight of 371.44 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 110801707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).