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

C15H20N2O2 — CID 61348095

IUPAC4-(2-piperidin-2-ylethyl)-1,4-benzoxazin-3-one
SMILESO=C1COc2ccccc2N1CCC1CCCCN1
InChIInChI=1S/C15H20N2O2/c18-15-11-19-14-7-2-1-6-13(14)17(15)10-8-12-5-3-4-9-16-12/h1-2,6-7,12,16H,3-5,8-11H2
InChIKeyJHHVXWFKLSWSKU-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.94
Rot. Bonds3

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

4-(2-piperidin-2-ylethyl)-1,4-benzoxazin-3-one (PubChem CID 61348095) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-(2-piperidin-2-ylethyl)-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-(2-piperidin-2-ylethyl)-1,4-benzoxazin-3-one
PubChem CID61348095
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4-(2-piperidin-2-ylethyl)-1,4-benzoxazin-3-one
SMILESO=C1COc2ccccc2N1CCC1CCCCN1
InChIInChI=1S/C15H20N2O2/c18-15-11-19-14-7-2-1-6-13(14)17(15)10-8-12-5-3-4-9-16-12/h1-2,6-7,12,16H,3-5,8-11H2
InChIKeyJHHVXWFKLSWSKU-UHFFFAOYSA-N
XLogP1.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperazine-1-carboxylic acid;hydrochloride
CID 68992539
N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidine-2-carboxamide
CID 119333214
6-bromo-4-(3-pyrrolidin-2-ylpropyl)-1,4-benzoxazin-3-one
CID 62478178
6-amino-4-(piperidin-2-ylmethyl)-1,4-benzoxazin-3-one
CID 115209200
6-bromo-1-(2-pyrrolidin-2-ylethyl)-3,4-dihydroquinoxalin-2-one
CID 117030909
N-(2-oxoazepan-3-yl)-4-(3-oxo-1,4-benzoxazin-4-yl)butanamide
CID 4200810
4-[3-(4-aminopiperidin-1-yl)propyl]-1,4-benzoxazin-3-one
CID 46930439
4-[2-(4-phenylpiperidin-1-yl)ethyl]-1,4-benzoxazin-3-one
CID 24803652
methanol;4-propyl-1,4-benzoxazin-3-one
CID 91005222
4-(2-cyclopentyl-2-hydroxyethyl)-1,4-benzoxazin-3-one
CID 104753134
N-(3-cyclopentylpropyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 38857092
3-(3-oxo-1,4-benzoxazin-4-yl)-N-piperidin-4-ylpropanamide
CID 119389632

Frequently Asked Questions

What is the IUPAC name of 4-(2-piperidin-2-ylethyl)-1,4-benzoxazin-3-one?
The IUPAC name of 4-(2-piperidin-2-ylethyl)-1,4-benzoxazin-3-one (CID 61348095) is 4-(2-piperidin-2-ylethyl)-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-(2-piperidin-2-ylethyl)-1,4-benzoxazin-3-one?
The canonical SMILES for 4-(2-piperidin-2-ylethyl)-1,4-benzoxazin-3-one is O=C1COc2ccccc2N1CCC1CCCCN1.
What is the InChIKey of 4-(2-piperidin-2-ylethyl)-1,4-benzoxazin-3-one?
The InChIKey is JHHVXWFKLSWSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-15-11-19-14-7-2-1-6-13(14)17(15)10-8-12-5-3-4-9-16-12/h1-2,6-7,12,16H,3-5,8-11H2.
What are the key properties of 4-(2-piperidin-2-ylethyl)-1,4-benzoxazin-3-one?
4-(2-piperidin-2-ylethyl)-1,4-benzoxazin-3-one has a molecular weight of 260.34 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-piperidin-2-ylethyl)-1,4-benzoxazin-3-one is sourced from PubChem (CID 61348095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).