3-[4-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-1H-pyrazin-2-one

C19H22N4O2 — CID 90648563

IUPAC3-[4-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-1H-pyrazin-2-one
SMILESO=C(C1CCc2ccccc2C1)N1CCN(c2ncc[nH]c2=O)CC1
InChIInChI=1S/C19H22N4O2/c24-18-17(20-7-8-21-18)22-9-11-23(12-10-22)19(25)16-6-5-14-3-1-2-4-15(14)13-16/h1-4,7-8,16H,5-6,9-13H2,(H,21,24)
InChIKeyYRPKGXGFOSGETR-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.22
Rot. Bonds2

About 3-[4-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-1H-pyrazin-2-one

3-[4-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-1H-pyrazin-2-one (PubChem CID 90648563) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-[4-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[4-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-1H-pyrazin-2-one
PubChem CID90648563
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name3-[4-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-1H-pyrazin-2-one
SMILESO=C(C1CCc2ccccc2C1)N1CCN(c2ncc[nH]c2=O)CC1
InChIInChI=1S/C19H22N4O2/c24-18-17(20-7-8-21-18)22-9-11-23(12-10-22)19(25)16-6-5-14-3-1-2-4-15(14)13-16/h1-4,7-8,16H,5-6,9-13H2,(H,21,24)
InChIKeyYRPKGXGFOSGETR-UHFFFAOYSA-N
XLogP1.22
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 71514588
3-[4-[(3S)-1-(furan-2-ylmethyl)piperidine-3-carbonyl]piperazin-1-yl]-1H-pyrazin-2-one
CID 99978204
3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-1H-pyrazin-2-one
CID 113243808
3-[4-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)acetyl]piperazin-1-yl]-1H-pyrazin-2-one
CID 86286231
2-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]oxyacetic acid
CID 114570494
[3-(methylamino)piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107125909
(3-ethyl-3-hydroxyazetidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107127094
[(3R)-3-aminopyrrolidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107127292
2,3-dihydro-1H-inden-2-yl-(4-phenylpiperazin-1-yl)methanone
CID 112532321
3-(4-methylpiperidin-1-yl)-1H-pyrazin-2-one
CID 115650167
[(3R)-3-methylpiperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107126386
3-(4-benzylpiperidin-1-yl)-1H-pyrazin-2-one
CID 115650144

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-1H-pyrazin-2-one?
The IUPAC name of 3-[4-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-1H-pyrazin-2-one (CID 90648563) is 3-[4-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[4-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-1H-pyrazin-2-one?
The canonical SMILES for 3-[4-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-1H-pyrazin-2-one is O=C(C1CCc2ccccc2C1)N1CCN(c2ncc[nH]c2=O)CC1.
What is the InChIKey of 3-[4-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-1H-pyrazin-2-one?
The InChIKey is YRPKGXGFOSGETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-18-17(20-7-8-21-18)22-9-11-23(12-10-22)19(25)16-6-5-14-3-1-2-4-15(14)13-16/h1-4,7-8,16H,5-6,9-13H2,(H,21,24).
What are the key properties of 3-[4-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-1H-pyrazin-2-one?
3-[4-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-1H-pyrazin-2-one has a molecular weight of 338.41 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-1H-pyrazin-2-one is sourced from PubChem (CID 90648563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).