1-[(2R)-2-(4-pyrazin-2-ylpiperazine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone

C19H21N5O3 — CID 51930801

IUPAC1-[(2R)-2-(4-pyrazin-2-ylpiperazine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
SMILESCC(=O)N1C[C@H](C(=O)N2CCN(c3cnccn3)CC2)Oc2ccccc21
InChIInChI=1S/C19H21N5O3/c1-14(25)24-13-17(27-16-5-3-2-4-15(16)24)19(26)23-10-8-22(9-11-23)18-12-20-6-7-21-18/h2-7,12,17H,8-11,13H2,1H3/t17-/m1/s1
InChIKeyUDNBKRDVCBIVKV-QGZVFWFLSA-N
MW367.41 g/mol
LogP0.94
Rot. Bonds2

About 1-[(2R)-2-(4-pyrazin-2-ylpiperazine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone

1-[(2R)-2-(4-pyrazin-2-ylpiperazine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone (PubChem CID 51930801) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 1-[(2R)-2-(4-pyrazin-2-ylpiperazine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-(4-pyrazin-2-ylpiperazine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
PubChem CID51930801
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name1-[(2R)-2-(4-pyrazin-2-ylpiperazine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
SMILESCC(=O)N1C[C@H](C(=O)N2CCN(c3cnccn3)CC2)Oc2ccccc21
InChIInChI=1S/C19H21N5O3/c1-14(25)24-13-17(27-16-5-3-2-4-15(16)24)19(26)23-10-8-22(9-11-23)18-12-20-6-7-21-18/h2-7,12,17H,8-11,13H2,1H3/t17-/m1/s1
InChIKeyUDNBKRDVCBIVKV-QGZVFWFLSA-N
XLogP0.94
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(2R)-2-(4-pyrazin-2-ylpiperazine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone with MolForge

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Related Compounds

[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 94014553
1-[2-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 18153003
[(2R,3R)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42024666
1-[(2R)-2-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 41023235
1-[(2S)-2-(2,3-dihydroindole-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 8900102
2-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 41170724
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 120798416
3-[1-[(2R)-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 25382426
4-acetyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 16602320
2-(4-pyrazin-2-ylpiperazin-1-yl)phenol
CID 2572823
cyclohexyl-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
CID 8944781
N-methyl-N-phenyl-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18167870

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(4-pyrazin-2-ylpiperazine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone?
The IUPAC name of 1-[(2R)-2-(4-pyrazin-2-ylpiperazine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone (CID 51930801) is 1-[(2R)-2-(4-pyrazin-2-ylpiperazine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-(4-pyrazin-2-ylpiperazine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-(4-pyrazin-2-ylpiperazine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone is CC(=O)N1C[C@H](C(=O)N2CCN(c3cnccn3)CC2)Oc2ccccc21.
What is the InChIKey of 1-[(2R)-2-(4-pyrazin-2-ylpiperazine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone?
The InChIKey is UDNBKRDVCBIVKV-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-14(25)24-13-17(27-16-5-3-2-4-15(16)24)19(26)23-10-8-22(9-11-23)18-12-20-6-7-21-18/h2-7,12,17H,8-11,13H2,1H3/t17-/m1/s1.
What are the key properties of 1-[(2R)-2-(4-pyrazin-2-ylpiperazine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone?
1-[(2R)-2-(4-pyrazin-2-ylpiperazine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone has a molecular weight of 367.41 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(4-pyrazin-2-ylpiperazine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone is sourced from PubChem (CID 51930801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).