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

C15H18N2O3 — CID 3241839

IUPAC4-(2-oxo-2-piperidin-1-ylethyl)-3H-1,4-benzoxazin-2-one
SMILESO=C1CN(CC(=O)N2CCCCC2)c2ccccc2O1
InChIInChI=1S/C15H18N2O3/c18-14(16-8-4-1-5-9-16)10-17-11-15(19)20-13-7-3-2-6-12(13)17/h2-3,6-7H,1,4-5,8-11H2
InChIKeyFFVDSPYBQDXQQB-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.42
Rot. Bonds2

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

4-(2-oxo-2-piperidin-1-ylethyl)-3H-1,4-benzoxazin-2-one (PubChem CID 3241839) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-(2-oxo-2-piperidin-1-ylethyl)-3H-1,4-benzoxazin-2-one.

Molecular Properties

Compound Name4-(2-oxo-2-piperidin-1-ylethyl)-3H-1,4-benzoxazin-2-one
PubChem CID3241839
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name4-(2-oxo-2-piperidin-1-ylethyl)-3H-1,4-benzoxazin-2-one
SMILESO=C1CN(CC(=O)N2CCCCC2)c2ccccc2O1
InChIInChI=1S/C15H18N2O3/c18-14(16-8-4-1-5-9-16)10-17-11-15(19)20-13-7-3-2-6-12(13)17/h2-3,6-7H,1,4-5,8-11H2
InChIKeyFFVDSPYBQDXQQB-UHFFFAOYSA-N
XLogP1.42
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-2-piperidin-1-ylethyl)-3H-1,4-benzoxazin-2-one?
The IUPAC name of 4-(2-oxo-2-piperidin-1-ylethyl)-3H-1,4-benzoxazin-2-one (CID 3241839) is 4-(2-oxo-2-piperidin-1-ylethyl)-3H-1,4-benzoxazin-2-one.
What is the SMILES notation for 4-(2-oxo-2-piperidin-1-ylethyl)-3H-1,4-benzoxazin-2-one?
The canonical SMILES for 4-(2-oxo-2-piperidin-1-ylethyl)-3H-1,4-benzoxazin-2-one is O=C1CN(CC(=O)N2CCCCC2)c2ccccc2O1.
What is the InChIKey of 4-(2-oxo-2-piperidin-1-ylethyl)-3H-1,4-benzoxazin-2-one?
The InChIKey is FFVDSPYBQDXQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-14(16-8-4-1-5-9-16)10-17-11-15(19)20-13-7-3-2-6-12(13)17/h2-3,6-7H,1,4-5,8-11H2.
What are the key properties of 4-(2-oxo-2-piperidin-1-ylethyl)-3H-1,4-benzoxazin-2-one?
4-(2-oxo-2-piperidin-1-ylethyl)-3H-1,4-benzoxazin-2-one has a molecular weight of 274.32 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-2-piperidin-1-ylethyl)-3H-1,4-benzoxazin-2-one is sourced from PubChem (CID 3241839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).