1-[(3S)-3-phenyl-4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone

C17H18N4O2 — CID 124951880

IUPAC1-[(3S)-3-phenyl-4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cnccn2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C17H18N4O2/c1-13(22)20-9-10-21(17(23)15-11-18-7-8-19-15)16(12-20)14-5-3-2-4-6-14/h2-8,11,16H,9-10,12H2,1H3/t16-/m1/s1
InChIKeyDKNXPFOGONDHOX-MRXNPFEDSA-N
MW310.36 g/mol
LogP1.52
Rot. Bonds2

About 1-[(3S)-3-phenyl-4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone

1-[(3S)-3-phenyl-4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 124951880) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-[(3S)-3-phenyl-4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-phenyl-4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID124951880
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name1-[(3S)-3-phenyl-4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cnccn2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C17H18N4O2/c1-13(22)20-9-10-21(17(23)15-11-18-7-8-19-15)16(12-20)14-5-3-2-4-6-14/h2-8,11,16H,9-10,12H2,1H3/t16-/m1/s1
InChIKeyDKNXPFOGONDHOX-MRXNPFEDSA-N
XLogP1.52
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methyl-2-phenylpiperazin-1-yl)-pyrazin-2-ylmethanone
CID 51251944
1-[4-(1-methylpyrazole-3-carbonyl)-3-phenylpiperazin-1-yl]ethanone
CID 110097808
1-[(3S)-4-(2-methylpyrazole-3-carbonyl)-3-phenylpiperazin-1-yl]ethanone
CID 124986438
1-[(3S)-3-phenyl-4-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]ethanone
CID 124982773
1-[3-phenyl-4-(5-propyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone
CID 110098205
1-[(3S)-4-(1-methylpyrrole-2-carbonyl)-3-phenylpiperazin-1-yl]ethanone
CID 124956509
1-[(2R)-2-phenyl-4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone
CID 124976976
1-[(3S)-4-(oxane-4-carbonyl)-3-phenylpiperazin-1-yl]ethanone
CID 124947252
1-[(2R)-4-(3-methylpyridine-2-carbonyl)-2-phenylpiperazin-1-yl]ethanone
CID 124948188
1-[4-(1-methylimidazole-2-carbonyl)-2-phenylpiperazin-1-yl]ethanone
CID 155983621
1-[(2R)-2-phenyl-4-(1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone
CID 125020144
[(2R)-2-phenylmorpholin-4-yl]-pyrazin-2-ylmethanone
CID 31414918

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-phenyl-4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[(3S)-3-phenyl-4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone (CID 124951880) is 1-[(3S)-3-phenyl-4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-phenyl-4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-phenyl-4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2cnccn2)[C@@H](c2ccccc2)C1.
What is the InChIKey of 1-[(3S)-3-phenyl-4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is DKNXPFOGONDHOX-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-13(22)20-9-10-21(17(23)15-11-18-7-8-19-15)16(12-20)14-5-3-2-4-6-14/h2-8,11,16H,9-10,12H2,1H3/t16-/m1/s1.
What are the key properties of 1-[(3S)-3-phenyl-4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone?
1-[(3S)-3-phenyl-4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 310.36 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-phenyl-4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 124951880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).