4-(4-pyrazin-2-ylpiperazine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one

C17H22N4O3 — CID 131892835

IUPAC4-(4-pyrazin-2-ylpiperazine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one
SMILESO=C1CC(C(=O)N2CCN(c3cnccn3)CC2)C2(CCCC2)O1
InChIInChI=1S/C17H22N4O3/c22-15-11-13(17(24-15)3-1-2-4-17)16(23)21-9-7-20(8-10-21)14-12-18-5-6-19-14/h5-6,12-13H,1-4,7-11H2
InChIKeyNWPAAWLFGOTOQE-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.00
Rot. Bonds2

About 4-(4-pyrazin-2-ylpiperazine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one

4-(4-pyrazin-2-ylpiperazine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one (PubChem CID 131892835) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 4-(4-pyrazin-2-ylpiperazine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name4-(4-pyrazin-2-ylpiperazine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one
PubChem CID131892835
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name4-(4-pyrazin-2-ylpiperazine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one
SMILESO=C1CC(C(=O)N2CCN(c3cnccn3)CC2)C2(CCCC2)O1
InChIInChI=1S/C17H22N4O3/c22-15-11-13(17(24-15)3-1-2-4-17)16(23)21-9-7-20(8-10-21)14-12-18-5-6-19-14/h5-6,12-13H,1-4,7-11H2
InChIKeyNWPAAWLFGOTOQE-UHFFFAOYSA-N
XLogP1.00
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-pyridin-4-yloxypiperidine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one
CID 118788436
4-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one
CID 138380754
4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one
CID 74249533
(4S)-4-[4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one
CID 95800999
(4R)-4-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one
CID 97116586
4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)-1-oxaspiro[4.4]nonan-2-one
CID 131941781
1'-(2-oxo-1-oxaspiro[4.4]nonane-4-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 131923016
1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 60715497
(4S)-4-[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one
CID 125160296
4-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one
CID 118784215
(3-aminocyclopentyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 66009185
6-oxo-5-oxaspiro[3.4]octane-8-carboxylic acid
CID 166444205

Frequently Asked Questions

What is the IUPAC name of 4-(4-pyrazin-2-ylpiperazine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one?
The IUPAC name of 4-(4-pyrazin-2-ylpiperazine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one (CID 131892835) is 4-(4-pyrazin-2-ylpiperazine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one.
What is the SMILES notation for 4-(4-pyrazin-2-ylpiperazine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one?
The canonical SMILES for 4-(4-pyrazin-2-ylpiperazine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one is O=C1CC(C(=O)N2CCN(c3cnccn3)CC2)C2(CCCC2)O1.
What is the InChIKey of 4-(4-pyrazin-2-ylpiperazine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one?
The InChIKey is NWPAAWLFGOTOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c22-15-11-13(17(24-15)3-1-2-4-17)16(23)21-9-7-20(8-10-21)14-12-18-5-6-19-14/h5-6,12-13H,1-4,7-11H2.
What are the key properties of 4-(4-pyrazin-2-ylpiperazine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one?
4-(4-pyrazin-2-ylpiperazine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one has a molecular weight of 330.39 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyrazin-2-ylpiperazine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one is sourced from PubChem (CID 131892835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).