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

C15H18N2O4 — CID 82063360

IUPAC6-hydroxy-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one
SMILESO=C(CN1C(=O)COc2ccc(O)cc21)N1CCCCC1
InChIInChI=1S/C15H18N2O4/c18-11-4-5-13-12(8-11)17(15(20)10-21-13)9-14(19)16-6-2-1-3-7-16/h4-5,8,18H,1-3,6-7,9-10H2
InChIKeyBWJQJUZJYYMXTR-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.13
Rot. Bonds2

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

6-hydroxy-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one (PubChem CID 82063360) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 6-hydroxy-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-hydroxy-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one
PubChem CID82063360
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name6-hydroxy-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one
SMILESO=C(CN1C(=O)COc2ccc(O)cc21)N1CCCCC1
InChIInChI=1S/C15H18N2O4/c18-11-4-5-13-12(8-11)17(15(20)10-21-13)9-14(19)16-6-2-1-3-7-16/h4-5,8,18H,1-3,6-7,9-10H2
InChIKeyBWJQJUZJYYMXTR-UHFFFAOYSA-N
XLogP1.13
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one
CID 3956945
4-[2-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-oxoethyl]-6-chloro-1,4-benzoxazin-3-one
CID 35430359
N,N-diethyl-3-oxo-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazine-6-sulfonamide
CID 20861516
4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-(pyrrolidine-1-carbonyl)-1,4-benzoxazin-3-one
CID 53012835
4-ethyl-6-hydroxy-1,4-benzoxazin-3-one
CID 82063398
4-(2-morpholin-4-yl-2-oxoethyl)-6-morpholin-4-ylsulfonyl-1,4-benzoxazin-3-one
CID 20903081
6-chloro-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,4-benzoxazin-3-one;hydrochloride
CID 6463766
4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(piperidine-1-carbonyl)-1,4-benzoxazin-3-one
CID 53012277
6-hydroxy-4-(2-morpholin-4-ylethyl)-1,4-benzoxazin-3-one
CID 82063421
4-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-1,4-benzoxazin-3-one
CID 5055436
4-hexyl-6-hydroxy-1,4-benzoxazin-3-one
CID 82063394
4-(3-oxo-3-piperidin-1-ylpropyl)-1,4-benzoxazin-3-one
CID 5018828

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one?
The IUPAC name of 6-hydroxy-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one (CID 82063360) is 6-hydroxy-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-hydroxy-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one?
The canonical SMILES for 6-hydroxy-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one is O=C(CN1C(=O)COc2ccc(O)cc21)N1CCCCC1.
What is the InChIKey of 6-hydroxy-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one?
The InChIKey is BWJQJUZJYYMXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c18-11-4-5-13-12(8-11)17(15(20)10-21-13)9-14(19)16-6-2-1-3-7-16/h4-5,8,18H,1-3,6-7,9-10H2.
What are the key properties of 6-hydroxy-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one?
6-hydroxy-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one has a molecular weight of 290.32 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one is sourced from PubChem (CID 82063360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).