4-(3-oxo-3-piperidin-1-ylpropyl)-1,4-benzoxazin-3-one

C16H20N2O3 — CID 5018828

IUPAC4-(3-oxo-3-piperidin-1-ylpropyl)-1,4-benzoxazin-3-one
SMILESO=C(CCN1C(=O)COc2ccccc21)N1CCCCC1
InChIInChI=1S/C16H20N2O3/c19-15(17-9-4-1-5-10-17)8-11-18-13-6-2-3-7-14(13)21-12-16(18)20/h2-3,6-7H,1,4-5,8-12H2
InChIKeyQEEYFVQNZBDCQW-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.81
Rot. Bonds3

About 4-(3-oxo-3-piperidin-1-ylpropyl)-1,4-benzoxazin-3-one

4-(3-oxo-3-piperidin-1-ylpropyl)-1,4-benzoxazin-3-one (PubChem CID 5018828) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-(3-oxo-3-piperidin-1-ylpropyl)-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-(3-oxo-3-piperidin-1-ylpropyl)-1,4-benzoxazin-3-one
PubChem CID5018828
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name4-(3-oxo-3-piperidin-1-ylpropyl)-1,4-benzoxazin-3-one
SMILESO=C(CCN1C(=O)COc2ccccc21)N1CCCCC1
InChIInChI=1S/C16H20N2O3/c19-15(17-9-4-1-5-10-17)8-11-18-13-6-2-3-7-14(13)21-12-16(18)20/h2-3,6-7H,1,4-5,8-12H2
InChIKeyQEEYFVQNZBDCQW-UHFFFAOYSA-N
XLogP1.81
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-oxo-3-piperazin-1-ylpropyl)-1,4-benzoxazin-3-one
CID 39163207
4-[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]-1,4-benzoxazin-3-one
CID 86926548
N-cyclohexyl-4-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoyl]piperazine-1-carboxamide
CID 55575029
4-[3-oxo-3-[4-(2-phenylethyl)piperazin-1-yl]propyl]-1,4-benzoxazin-3-one
CID 35951831
4-[3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3-oxopropyl]-1,4-benzoxazin-3-one
CID 35367982
4-[3-oxo-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propyl]-1,4-benzoxazin-3-one
CID 134045157
4-[3-(azepan-1-yl)-3-oxopropyl]-2-methyl-1,4-benzoxazin-3-one
CID 51264814
(2R)-4-[3-(azepan-1-yl)-3-oxopropyl]-2-methyl-1,4-benzoxazin-3-one
CID 27007130
4-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]-1,4-benzoxazin-3-one;hydrochloride
CID 120816015
4-[3-(2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxopropyl]-1,4-benzoxazin-3-one
CID 51205452
4-[3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1,4-benzoxazin-3-one
CID 17409754
4-[3-(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-1,4-benzoxazin-3-one
CID 126780631

Frequently Asked Questions

What is the IUPAC name of 4-(3-oxo-3-piperidin-1-ylpropyl)-1,4-benzoxazin-3-one?
The IUPAC name of 4-(3-oxo-3-piperidin-1-ylpropyl)-1,4-benzoxazin-3-one (CID 5018828) is 4-(3-oxo-3-piperidin-1-ylpropyl)-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-(3-oxo-3-piperidin-1-ylpropyl)-1,4-benzoxazin-3-one?
The canonical SMILES for 4-(3-oxo-3-piperidin-1-ylpropyl)-1,4-benzoxazin-3-one is O=C(CCN1C(=O)COc2ccccc21)N1CCCCC1.
What is the InChIKey of 4-(3-oxo-3-piperidin-1-ylpropyl)-1,4-benzoxazin-3-one?
The InChIKey is QEEYFVQNZBDCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-15(17-9-4-1-5-10-17)8-11-18-13-6-2-3-7-14(13)21-12-16(18)20/h2-3,6-7H,1,4-5,8-12H2.
What are the key properties of 4-(3-oxo-3-piperidin-1-ylpropyl)-1,4-benzoxazin-3-one?
4-(3-oxo-3-piperidin-1-ylpropyl)-1,4-benzoxazin-3-one has a molecular weight of 288.35 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-oxo-3-piperidin-1-ylpropyl)-1,4-benzoxazin-3-one is sourced from PubChem (CID 5018828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).