1-propyl-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoxalin-2-one

C20H22N4O2S — CID 53131492

IUPAC1-propyl-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoxalin-2-one
SMILESCCCn1c(=O)c(N2CCN(C(=O)c3cccs3)CC2)nc2ccccc21
InChIInChI=1S/C20H22N4O2S/c1-2-9-24-16-7-4-3-6-15(16)21-18(20(24)26)22-10-12-23(13-11-22)19(25)17-8-5-14-27-17/h3-8,14H,2,9-13H2,1H3
InChIKeyLFIAWAIUCNPNPZ-UHFFFAOYSA-N
MW382.49 g/mol
LogP2.83
Rot. Bonds4

About 1-propyl-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoxalin-2-one

1-propyl-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoxalin-2-one (PubChem CID 53131492) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is 1-propyl-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoxalin-2-one.

Molecular Properties

Compound Name1-propyl-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoxalin-2-one
PubChem CID53131492
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name1-propyl-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoxalin-2-one
SMILESCCCn1c(=O)c(N2CCN(C(=O)c3cccs3)CC2)nc2ccccc21
InChIInChI=1S/C20H22N4O2S/c1-2-9-24-16-7-4-3-6-15(16)21-18(20(24)26)22-10-12-23(13-11-22)19(25)17-8-5-14-27-17/h3-8,14H,2,9-13H2,1H3
InChIKeyLFIAWAIUCNPNPZ-UHFFFAOYSA-N
XLogP2.83
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoxalin-2-one
CID 46393079
3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-propylquinoxalin-2-one
CID 53131511
3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-propylquinoxalin-2-one
CID 53131479
3-[4-(3,4-diethoxybenzoyl)piperazin-1-yl]-1-propylquinoxalin-2-one
CID 50837525
3-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-1-propylquinoxalin-2-one
CID 53131490
3-[4-(4-methoxy-2-methylbenzoyl)piperazin-1-yl]-1-propylquinoxalin-2-one
CID 53131518
3-[4-(3-phenylbutanoyl)piperazin-1-yl]-1-propylquinoxalin-2-one
CID 53131475
[5-(1-propylbenzimidazol-2-yl)thiophen-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4732078
3-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-1-propylquinoxalin-2-one
CID 53001361
1-methyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]benzimidazol-2-one
CID 18142015
2-oxo-1-pentyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 21081937
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627

Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoxalin-2-one?
The IUPAC name of 1-propyl-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoxalin-2-one (CID 53131492) is 1-propyl-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoxalin-2-one.
What is the SMILES notation for 1-propyl-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoxalin-2-one?
The canonical SMILES for 1-propyl-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoxalin-2-one is CCCn1c(=O)c(N2CCN(C(=O)c3cccs3)CC2)nc2ccccc21.
What is the InChIKey of 1-propyl-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoxalin-2-one?
The InChIKey is LFIAWAIUCNPNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-2-9-24-16-7-4-3-6-15(16)21-18(20(24)26)22-10-12-23(13-11-22)19(25)17-8-5-14-27-17/h3-8,14H,2,9-13H2,1H3.
What are the key properties of 1-propyl-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoxalin-2-one?
1-propyl-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoxalin-2-one has a molecular weight of 382.49 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoxalin-2-one is sourced from PubChem (CID 53131492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).