(2R)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-4H-pyrido[3,2-b][1,4]oxazin-3-one

C19H19FN4O3 — CID 95102393

IUPAC(2R)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESC[C@@]1(C(=O)N2CCN(c3ccccc3F)CC2)Oc2cccnc2NC1=O
InChIInChI=1S/C19H19FN4O3/c1-19(17(25)22-16-15(27-19)7-4-8-21-16)18(26)24-11-9-23(10-12-24)14-6-3-2-5-13(14)20/h2-8H,9-12H2,1H3,(H,21,22,25)/t19-/m1/s1
InChIKeyDFPLQINZDJKMBA-LJQANCHMSA-N
MW370.38 g/mol
LogP1.66
Rot. Bonds2

About (2R)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-4H-pyrido[3,2-b][1,4]oxazin-3-one

(2R)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 95102393) has the molecular formula C19H19FN4O3 and a molecular weight of 370.38 g/mol. Its IUPAC name is (2R)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name(2R)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID95102393
Molecular FormulaC19H19FN4O3
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC Name(2R)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESC[C@@]1(C(=O)N2CCN(c3ccccc3F)CC2)Oc2cccnc2NC1=O
InChIInChI=1S/C19H19FN4O3/c1-19(17(25)22-16-15(27-19)7-4-8-21-16)18(26)24-11-9-23(10-12-24)14-6-3-2-5-13(14)20/h2-8H,9-12H2,1H3,(H,21,22,25)/t19-/m1/s1
InChIKeyDFPLQINZDJKMBA-LJQANCHMSA-N
XLogP1.66
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-1,4-benzoxazin-3-one
CID 75768350
2-methyl-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one
CID 75768244
2,6-dimethyl-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one
CID 75768589
4-ethyl-2-methyl-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,4-benzoxazin-3-one
CID 75768443
4-(2-fluorophenyl)-N,N-dimethylpiperazine-1-carboxamide
CID 3757399
2-methyl-2-(4-methylsulfonylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one
CID 75768241
[4-(2-fluorophenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone
CID 119946056
6-chloro-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 75796642
[4-(2-fluorophenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone;dihydrochloride
CID 119946055
6-chloro-2-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 75796387
(1-aminocyclobutyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 81179571
[2-(2-fluoroanilino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 78814549

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of (2R)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 95102393) is (2R)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for (2R)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for (2R)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-4H-pyrido[3,2-b][1,4]oxazin-3-one is C[C@@]1(C(=O)N2CCN(c3ccccc3F)CC2)Oc2cccnc2NC1=O.
What is the InChIKey of (2R)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is DFPLQINZDJKMBA-LJQANCHMSA-N. The full InChI is InChI=1S/C19H19FN4O3/c1-19(17(25)22-16-15(27-19)7-4-8-21-16)18(26)24-11-9-23(10-12-24)14-6-3-2-5-13(14)20/h2-8H,9-12H2,1H3,(H,21,22,25)/t19-/m1/s1.
What are the key properties of (2R)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-4H-pyrido[3,2-b][1,4]oxazin-3-one?
(2R)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 370.38 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 95102393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).