methyl 2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzoate

C23H26N2O4 — CID 24803495

IUPACmethyl 2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzoate
SMILESCOC(=O)c1ccccc1C1CCN(CCN2C(=O)COc3ccccc32)CC1
InChIInChI=1S/C23H26N2O4/c1-28-23(27)19-7-3-2-6-18(19)17-10-12-24(13-11-17)14-15-25-20-8-4-5-9-21(20)29-16-22(25)26/h2-9,17H,10-16H2,1H3
InChIKeySYPGVGCRZPUAJL-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.08
Rot. Bonds5

About methyl 2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzoate

methyl 2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzoate (PubChem CID 24803495) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is methyl 2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzoate.

Molecular Properties

Compound Namemethyl 2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzoate
PubChem CID24803495
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Namemethyl 2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzoate
SMILESCOC(=O)c1ccccc1C1CCN(CCN2C(=O)COc3ccccc32)CC1
InChIInChI=1S/C23H26N2O4/c1-28-23(27)19-7-3-2-6-18(19)17-10-12-24(13-11-17)14-15-25-20-8-4-5-9-21(20)29-16-22(25)26/h2-9,17H,10-16H2,1H3
InChIKeySYPGVGCRZPUAJL-UHFFFAOYSA-N
XLogP3.08
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide
CID 24802667
N-(3-ethoxypropyl)-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide;N-(3-hydroxypropyl)-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide;N-(3-methoxypropyl)-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide
CID 157167906
2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)benzamide
CID 59662206
N-[1-(4-chlorophenyl)propan-2-yl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide
CID 24802665
N-[2-(2,5-dimethoxyphenyl)ethyl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide
CID 24802666
N-[2-(3,5-difluorophenyl)ethyl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide
CID 24802834
4-[2-(4-phenylpiperidin-1-yl)ethyl]-1,4-benzoxazin-3-one
CID 24803652
6-[[5-chloro-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzoyl]amino]hexylcarbamic acid
CID 142698764
5-chloro-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-[5-(propan-2-ylcarbamoylamino)pentyl]benzamide
CID 24803810
5-chloro-N-[5-(3,3-dimethylbutanoylamino)pentyl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide
CID 24803987
benzyl N-[5-[[5-chloro-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzoyl]amino]pentyl]carbamate
CID 24803988
methyl 2-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoate
CID 2992916

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzoate?
The IUPAC name of methyl 2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzoate (CID 24803495) is methyl 2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzoate.
What is the SMILES notation for methyl 2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzoate?
The canonical SMILES for methyl 2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzoate is COC(=O)c1ccccc1C1CCN(CCN2C(=O)COc3ccccc32)CC1.
What is the InChIKey of methyl 2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzoate?
The InChIKey is SYPGVGCRZPUAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-28-23(27)19-7-3-2-6-18(19)17-10-12-24(13-11-17)14-15-25-20-8-4-5-9-21(20)29-16-22(25)26/h2-9,17H,10-16H2,1H3.
What are the key properties of methyl 2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzoate?
methyl 2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzoate has a molecular weight of 394.47 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzoate is sourced from PubChem (CID 24803495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).