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

C19H22N4O2 — CID 19027040

IUPAC3-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2H-1,3-benzoxazin-4-one
SMILESO=C1c2ccccc2OCN1CCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H22N4O2/c24-19-16-5-1-2-6-17(16)25-15-23(19)14-11-21-9-12-22(13-10-21)18-7-3-4-8-20-18/h1-8H,9-15H2
InChIKeySHPALSSARMAYFH-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.70
Rot. Bonds4

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

3-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2H-1,3-benzoxazin-4-one (PubChem CID 19027040) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2H-1,3-benzoxazin-4-one.

Molecular Properties

Compound Name3-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2H-1,3-benzoxazin-4-one
PubChem CID19027040
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name3-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2H-1,3-benzoxazin-4-one
SMILESO=C1c2ccccc2OCN1CCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H22N4O2/c24-19-16-5-1-2-6-17(16)25-15-23(19)14-11-21-9-12-22(13-10-21)18-7-3-4-8-20-18/h1-8H,9-15H2
InChIKeySHPALSSARMAYFH-UHFFFAOYSA-N
XLogP1.70
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(4-phenylpiperazin-1-yl)ethyl]-2H-1,3-benzoxazin-4-one;dihydrochloride
CID 139612889
4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]morpholine
CID 13345110
1-(2-bromoethyl)-4-pyridin-2-ylpiperazine
CID 61288555
2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine;tetrahydrochloride
CID 23627586
3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
CID 14854856
1-(5-chloropentyl)-4-pyridin-2-ylpiperazine
CID 61288750
bis[2-(4-oxo-2H-1,3-benzoxazin-3-yl)ethyl] carbonate
CID 54438353
4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 68740274
1-[(5-bromofuran-2-yl)methyl]-4-pyridin-2-ylpiperazine
CID 764380
3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
CID 11971564
3-oxido-1-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzo[f]benzotriazol-3-ium-4,9-dione
CID 70837407
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2H-1,3-benzoxazin-4-one?
The IUPAC name of 3-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2H-1,3-benzoxazin-4-one (CID 19027040) is 3-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2H-1,3-benzoxazin-4-one.
What is the SMILES notation for 3-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2H-1,3-benzoxazin-4-one?
The canonical SMILES for 3-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2H-1,3-benzoxazin-4-one is O=C1c2ccccc2OCN1CCN1CCN(c2ccccn2)CC1.
What is the InChIKey of 3-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2H-1,3-benzoxazin-4-one?
The InChIKey is SHPALSSARMAYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-19-16-5-1-2-6-17(16)25-15-23(19)14-11-21-9-12-22(13-10-21)18-7-3-4-8-20-18/h1-8H,9-15H2.
What are the key properties of 3-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2H-1,3-benzoxazin-4-one?
3-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2H-1,3-benzoxazin-4-one has a molecular weight of 338.41 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2H-1,3-benzoxazin-4-one is sourced from PubChem (CID 19027040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).