(3S)-3-butyl-1-methyl-4-(quinoxaline-6-carbonyl)piperazin-2-one

C18H22N4O2 — CID 96571377

IUPAC(3S)-3-butyl-1-methyl-4-(quinoxaline-6-carbonyl)piperazin-2-one
SMILESCCCC[C@H]1C(=O)N(C)CCN1C(=O)c1ccc2nccnc2c1
InChIInChI=1S/C18H22N4O2/c1-3-4-5-16-18(24)21(2)10-11-22(16)17(23)13-6-7-14-15(12-13)20-9-8-19-14/h6-9,12,16H,3-5,10-11H2,1-2H3/t16-/m0/s1
InChIKeyGRKFKLSBHLKCBB-INIZCTEOSA-N
MW326.40 g/mol
LogP2.10
Rot. Bonds4

About (3S)-3-butyl-1-methyl-4-(quinoxaline-6-carbonyl)piperazin-2-one

(3S)-3-butyl-1-methyl-4-(quinoxaline-6-carbonyl)piperazin-2-one (PubChem CID 96571377) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is (3S)-3-butyl-1-methyl-4-(quinoxaline-6-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name(3S)-3-butyl-1-methyl-4-(quinoxaline-6-carbonyl)piperazin-2-one
PubChem CID96571377
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name(3S)-3-butyl-1-methyl-4-(quinoxaline-6-carbonyl)piperazin-2-one
SMILESCCCC[C@H]1C(=O)N(C)CCN1C(=O)c1ccc2nccnc2c1
InChIInChI=1S/C18H22N4O2/c1-3-4-5-16-18(24)21(2)10-11-22(16)17(23)13-6-7-14-15(12-13)20-9-8-19-14/h6-9,12,16H,3-5,10-11H2,1-2H3/t16-/m0/s1
InChIKeyGRKFKLSBHLKCBB-INIZCTEOSA-N
XLogP2.10
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S)-3-butyl-1-methyl-4-(quinoxaline-6-carbonyl)piperazin-2-one with MolForge

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Related Compounds

3-butyl-1-methyl-4-(3-pyrimidin-2-ylbenzoyl)piperazin-2-one
CID 118774662
4-(3H-benzimidazole-5-carbonyl)-3-butyl-1-methylpiperazin-2-one
CID 70756865
3-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)benzonitrile
CID 70741313
3-butyl-1-methyl-4-[4-(1H-1,2,4-triazol-5-yl)benzoyl]piperazin-2-one
CID 70745000
(3S)-3-butyl-1-methyl-4-[4-(pyrrolidin-1-ylmethyl)benzoyl]piperazin-2-one
CID 97207797
3-butyl-1-methyl-4-[4-(phenoxymethyl)benzoyl]piperazin-2-one
CID 131941063
4-(2-anilinopyrimidine-5-carbonyl)-3-butyl-1-methylpiperazin-2-one
CID 70778714
(3R)-3-butyl-4-[4-(5-methoxy-3-pyridinyl)benzoyl]-1-methylpiperazin-2-one
CID 126428549
3-ethyl-4-(quinoxaline-6-carbonyl)piperazin-2-one
CID 63602080
3-butyl-4-[4-(2-methoxyphenyl)benzoyl]-1-methylpiperazin-2-one
CID 131897843
5-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)-2-methyl-1H-pyrimidin-6-one
CID 72878704
4-[3-(5-aminopyrazin-2-yl)benzoyl]-1-methyl-3-propylpiperazin-2-one
CID 178039818

Frequently Asked Questions

What is the IUPAC name of (3S)-3-butyl-1-methyl-4-(quinoxaline-6-carbonyl)piperazin-2-one?
The IUPAC name of (3S)-3-butyl-1-methyl-4-(quinoxaline-6-carbonyl)piperazin-2-one (CID 96571377) is (3S)-3-butyl-1-methyl-4-(quinoxaline-6-carbonyl)piperazin-2-one.
What is the SMILES notation for (3S)-3-butyl-1-methyl-4-(quinoxaline-6-carbonyl)piperazin-2-one?
The canonical SMILES for (3S)-3-butyl-1-methyl-4-(quinoxaline-6-carbonyl)piperazin-2-one is CCCC[C@H]1C(=O)N(C)CCN1C(=O)c1ccc2nccnc2c1.
What is the InChIKey of (3S)-3-butyl-1-methyl-4-(quinoxaline-6-carbonyl)piperazin-2-one?
The InChIKey is GRKFKLSBHLKCBB-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-3-4-5-16-18(24)21(2)10-11-22(16)17(23)13-6-7-14-15(12-13)20-9-8-19-14/h6-9,12,16H,3-5,10-11H2,1-2H3/t16-/m0/s1.
What are the key properties of (3S)-3-butyl-1-methyl-4-(quinoxaline-6-carbonyl)piperazin-2-one?
(3S)-3-butyl-1-methyl-4-(quinoxaline-6-carbonyl)piperazin-2-one has a molecular weight of 326.40 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-butyl-1-methyl-4-(quinoxaline-6-carbonyl)piperazin-2-one is sourced from PubChem (CID 96571377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).