3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-propylquinoxalin-2-one

C20H26N4O2 — CID 53131479

IUPAC3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-propylquinoxalin-2-one
SMILESCCCn1c(=O)c(N2CCN(C(=O)C3CCC3)CC2)nc2ccccc21
InChIInChI=1S/C20H26N4O2/c1-2-10-24-17-9-4-3-8-16(17)21-18(20(24)26)22-11-13-23(14-12-22)19(25)15-6-5-7-15/h3-4,8-9,15H,2,5-7,10-14H2,1H3
InChIKeyIIYLGUAXPGAESH-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.26
Rot. Bonds4

About 3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-propylquinoxalin-2-one

3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-propylquinoxalin-2-one (PubChem CID 53131479) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-propylquinoxalin-2-one.

Molecular Properties

Compound Name3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-propylquinoxalin-2-one
PubChem CID53131479
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-propylquinoxalin-2-one
SMILESCCCn1c(=O)c(N2CCN(C(=O)C3CCC3)CC2)nc2ccccc21
InChIInChI=1S/C20H26N4O2/c1-2-10-24-17-9-4-3-8-16(17)21-18(20(24)26)22-11-13-23(14-12-22)19(25)15-6-5-7-15/h3-4,8-9,15H,2,5-7,10-14H2,1H3
InChIKeyIIYLGUAXPGAESH-UHFFFAOYSA-N
XLogP2.26
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-3-[4-(cyclobutanecarbonyl)piperazin-1-yl]quinoxalin-2-one
CID 50837523
1-propyl-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoxalin-2-one
CID 53131492
cyclohexyl-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]methanone
CID 46375584
3-[4-(3-phenylbutanoyl)piperazin-1-yl]-1-propylquinoxalin-2-one
CID 53131475
3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-propylquinoxalin-2-one
CID 53131511
1-ethyl-3-[(3R)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]quinoxalin-2-one
CID 30451481
1-ethyl-3-[(3S)-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]quinoxalin-2-one
CID 30451457
3-[4-(3,4-diethoxybenzoyl)piperazin-1-yl]-1-propylquinoxalin-2-one
CID 50837525
3-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-1-propylquinoxalin-2-one
CID 53001361
1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-piperidin-1-ylquinoxalin-2-one
CID 91951434
1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-piperidin-1-ylquinoxalin-2-one
CID 91951447
3-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-1-propylquinoxalin-2-one
CID 53131490

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-propylquinoxalin-2-one?
The IUPAC name of 3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-propylquinoxalin-2-one (CID 53131479) is 3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-propylquinoxalin-2-one.
What is the SMILES notation for 3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-propylquinoxalin-2-one?
The canonical SMILES for 3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-propylquinoxalin-2-one is CCCn1c(=O)c(N2CCN(C(=O)C3CCC3)CC2)nc2ccccc21.
What is the InChIKey of 3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-propylquinoxalin-2-one?
The InChIKey is IIYLGUAXPGAESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-2-10-24-17-9-4-3-8-16(17)21-18(20(24)26)22-11-13-23(14-12-22)19(25)15-6-5-7-15/h3-4,8-9,15H,2,5-7,10-14H2,1H3.
What are the key properties of 3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-propylquinoxalin-2-one?
3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-propylquinoxalin-2-one has a molecular weight of 354.45 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-propylquinoxalin-2-one is sourced from PubChem (CID 53131479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).