2-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-4H-1,4-benzoxazin-3-one

C19H20N4O3 — CID 120732611

IUPAC2-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-4H-1,4-benzoxazin-3-one
SMILESO=C1Nc2ccccc2OC1CC(=O)N1CCNCC1c1cccnc1
InChIInChI=1S/C19H20N4O3/c24-18(10-17-19(25)22-14-5-1-2-6-16(14)26-17)23-9-8-21-12-15(23)13-4-3-7-20-11-13/h1-7,11,15,17,21H,8-10,12H2,(H,22,25)
InChIKeyGNROLKFHRDBHSJ-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.34
Rot. Bonds3

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

2-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-4H-1,4-benzoxazin-3-one (PubChem CID 120732611) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name2-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-4H-1,4-benzoxazin-3-one
PubChem CID120732611
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name2-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-4H-1,4-benzoxazin-3-one
SMILESO=C1Nc2ccccc2OC1CC(=O)N1CCNCC1c1cccnc1
InChIInChI=1S/C19H20N4O3/c24-18(10-17-19(25)22-14-5-1-2-6-16(14)26-17)23-9-8-21-12-15(23)13-4-3-7-20-11-13/h1-7,11,15,17,21H,8-10,12H2,(H,22,25)
InChIKeyGNROLKFHRDBHSJ-UHFFFAOYSA-N
XLogP1.34
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-(oxan-4-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
CID 120729998
N-methyl-N-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]acetamide
CID 120729613
3-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120731237
2-[benzyl(methyl)amino]-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
CID 120731815
4-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)pentan-1-one
CID 120729213
3-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-2-one
CID 120731146
(2-pyridin-3-ylpiperazin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone;hydrochloride
CID 120730545
3-phenyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120731691
N,N-diethyl-2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethanesulfonamide;hydrochloride
CID 120731433
1-(2-pyridin-3-ylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
CID 120729581
1-morpholin-4-yl-2-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]sulfanylethanone
CID 120730674
(2-pyridin-3-ylpiperazin-1-yl)-spiro[2.4]heptan-2-ylmethanone
CID 120730942

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 2-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-4H-1,4-benzoxazin-3-one (CID 120732611) is 2-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 2-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 2-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-4H-1,4-benzoxazin-3-one is O=C1Nc2ccccc2OC1CC(=O)N1CCNCC1c1cccnc1.
What is the InChIKey of 2-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-4H-1,4-benzoxazin-3-one?
The InChIKey is GNROLKFHRDBHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c24-18(10-17-19(25)22-14-5-1-2-6-16(14)26-17)23-9-8-21-12-15(23)13-4-3-7-20-11-13/h1-7,11,15,17,21H,8-10,12H2,(H,22,25).
What are the key properties of 2-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-4H-1,4-benzoxazin-3-one?
2-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-4H-1,4-benzoxazin-3-one has a molecular weight of 352.39 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 120732611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).