5-[4-(oxan-4-yl)piperazine-1-carbonyl]-1H-pyrazin-2-one

C14H20N4O3 — CID 91796344

IUPAC5-[4-(oxan-4-yl)piperazine-1-carbonyl]-1H-pyrazin-2-one
SMILESO=C(c1c[nH]c(=O)cn1)N1CCN(C2CCOCC2)CC1
InChIInChI=1S/C14H20N4O3/c19-13-10-15-12(9-16-13)14(20)18-5-3-17(4-6-18)11-1-7-21-8-2-11/h9-11H,1-8H2,(H,16,19)
InChIKeyVQDDLIHEYORJQP-UHFFFAOYSA-N
MW292.34 g/mol
LogP-0.29
Rot. Bonds2

About 5-[4-(oxan-4-yl)piperazine-1-carbonyl]-1H-pyrazin-2-one

5-[4-(oxan-4-yl)piperazine-1-carbonyl]-1H-pyrazin-2-one (PubChem CID 91796344) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-[4-(oxan-4-yl)piperazine-1-carbonyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-[4-(oxan-4-yl)piperazine-1-carbonyl]-1H-pyrazin-2-one
PubChem CID91796344
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name5-[4-(oxan-4-yl)piperazine-1-carbonyl]-1H-pyrazin-2-one
SMILESO=C(c1c[nH]c(=O)cn1)N1CCN(C2CCOCC2)CC1
InChIInChI=1S/C14H20N4O3/c19-13-10-15-12(9-16-13)14(20)18-5-3-17(4-6-18)11-1-7-21-8-2-11/h9-11H,1-8H2,(H,16,19)
InChIKeyVQDDLIHEYORJQP-UHFFFAOYSA-N
XLogP-0.29
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methylpiperazine-1-carbonyl)-1H-pyrazin-2-one
CID 110476630
5-(3-aminopyrrolidine-1-carbonyl)-1H-pyrazin-2-one
CID 62067809
2-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]acetic acid
CID 79615807
(2-methylsulfanylpyrimidin-5-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone
CID 91775872
(2-methyl-1,3-thiazol-4-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone
CID 131931854
5-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 118779827
5-(4-cyclopropylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 47268320
5-(3-hydroxy-4-methylpiperidine-1-carbonyl)-1H-pyrazin-2-one
CID 113348340
5-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyrazin-2-one
CID 63259107
5-(4-amino-3-methylpiperidine-1-carbonyl)-1H-pyrazin-2-one
CID 79880596
(2-amino-6-propan-2-ylpyrimidin-4-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone
CID 91798019
(3-methyl-1,2-oxazol-5-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone
CID 136512064

Frequently Asked Questions

What is the IUPAC name of 5-[4-(oxan-4-yl)piperazine-1-carbonyl]-1H-pyrazin-2-one?
The IUPAC name of 5-[4-(oxan-4-yl)piperazine-1-carbonyl]-1H-pyrazin-2-one (CID 91796344) is 5-[4-(oxan-4-yl)piperazine-1-carbonyl]-1H-pyrazin-2-one.
What is the SMILES notation for 5-[4-(oxan-4-yl)piperazine-1-carbonyl]-1H-pyrazin-2-one?
The canonical SMILES for 5-[4-(oxan-4-yl)piperazine-1-carbonyl]-1H-pyrazin-2-one is O=C(c1c[nH]c(=O)cn1)N1CCN(C2CCOCC2)CC1.
What is the InChIKey of 5-[4-(oxan-4-yl)piperazine-1-carbonyl]-1H-pyrazin-2-one?
The InChIKey is VQDDLIHEYORJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c19-13-10-15-12(9-16-13)14(20)18-5-3-17(4-6-18)11-1-7-21-8-2-11/h9-11H,1-8H2,(H,16,19).
What are the key properties of 5-[4-(oxan-4-yl)piperazine-1-carbonyl]-1H-pyrazin-2-one?
5-[4-(oxan-4-yl)piperazine-1-carbonyl]-1H-pyrazin-2-one has a molecular weight of 292.34 g/mol, XLogP of -0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(oxan-4-yl)piperazine-1-carbonyl]-1H-pyrazin-2-one is sourced from PubChem (CID 91796344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).