4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1,4-benzoxazin-3-one

C17H23N3O3 — CID 20968282

IUPAC4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1,4-benzoxazin-3-one
SMILESCCCN1CCN(C(=O)CN2C(=O)COc3ccccc32)CC1
InChIInChI=1S/C17H23N3O3/c1-2-7-18-8-10-19(11-9-18)16(21)12-20-14-5-3-4-6-15(14)23-13-17(20)22/h3-6H,2,7-13H2,1H3
InChIKeyKVNARDOHYBXYAQ-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.97
Rot. Bonds4

About 4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1,4-benzoxazin-3-one

4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1,4-benzoxazin-3-one (PubChem CID 20968282) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1,4-benzoxazin-3-one
PubChem CID20968282
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1,4-benzoxazin-3-one
SMILESCCCN1CCN(C(=O)CN2C(=O)COc3ccccc32)CC1
InChIInChI=1S/C17H23N3O3/c1-2-7-18-8-10-19(11-9-18)16(21)12-20-14-5-3-4-6-15(14)23-13-17(20)22/h3-6H,2,7-13H2,1H3
InChIKeyKVNARDOHYBXYAQ-UHFFFAOYSA-N
XLogP0.97
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1,4-benzoxazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-3-oxo-4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1,4-benzoxazine-6-sulfonamide
CID 20861521
methanol;4-propyl-1,4-benzoxazin-3-one
CID 91005222
4-[3-oxo-3-[4-(2-phenylethyl)piperazin-1-yl]propyl]-1,4-benzoxazin-3-one
CID 35951831
1-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid
CID 119136794
4-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one
CID 3412450
4-[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]-1,4-benzoxazin-3-one
CID 86926548
2,2-dimethyl-1,1-dioxo-5-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-3H-1lambda6,5-benzothiazepin-4-one
CID 3235973
4-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one
CID 120809461
4-(3-oxo-3-piperidin-1-ylpropyl)-1,4-benzoxazin-3-one
CID 5018828
[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate
CID 55479458
5-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydro-1,5-benzoxazepin-4-one
CID 9041546
6-tert-butyl-4-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one
CID 42787930

Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1,4-benzoxazin-3-one?
The IUPAC name of 4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1,4-benzoxazin-3-one (CID 20968282) is 4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1,4-benzoxazin-3-one?
The canonical SMILES for 4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1,4-benzoxazin-3-one is CCCN1CCN(C(=O)CN2C(=O)COc3ccccc32)CC1.
What is the InChIKey of 4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1,4-benzoxazin-3-one?
The InChIKey is KVNARDOHYBXYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-2-7-18-8-10-19(11-9-18)16(21)12-20-14-5-3-4-6-15(14)23-13-17(20)22/h3-6H,2,7-13H2,1H3.
What are the key properties of 4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1,4-benzoxazin-3-one?
4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1,4-benzoxazin-3-one has a molecular weight of 317.39 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1,4-benzoxazin-3-one is sourced from PubChem (CID 20968282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).