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

C25H30N4O2 — CID 53131475

IUPAC3-[4-(3-phenylbutanoyl)piperazin-1-yl]-1-propylquinoxalin-2-one
SMILESCCCn1c(=O)c(N2CCN(C(=O)CC(C)c3ccccc3)CC2)nc2ccccc21
InChIInChI=1S/C25H30N4O2/c1-3-13-29-22-12-8-7-11-21(22)26-24(25(29)31)28-16-14-27(15-17-28)23(30)18-19(2)20-9-5-4-6-10-20/h4-12,19H,3,13-18H2,1-2H3
InChIKeySUFXKNOFKXZPGU-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.65
Rot. Bonds6

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

3-[4-(3-phenylbutanoyl)piperazin-1-yl]-1-propylquinoxalin-2-one (PubChem CID 53131475) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 3-[4-(3-phenylbutanoyl)piperazin-1-yl]-1-propylquinoxalin-2-one.

Molecular Properties

Compound Name3-[4-(3-phenylbutanoyl)piperazin-1-yl]-1-propylquinoxalin-2-one
PubChem CID53131475
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name3-[4-(3-phenylbutanoyl)piperazin-1-yl]-1-propylquinoxalin-2-one
SMILESCCCn1c(=O)c(N2CCN(C(=O)CC(C)c3ccccc3)CC2)nc2ccccc21
InChIInChI=1S/C25H30N4O2/c1-3-13-29-22-12-8-7-11-21(22)26-24(25(29)31)28-16-14-27(15-17-28)23(30)18-19(2)20-9-5-4-6-10-20/h4-12,19H,3,13-18H2,1-2H3
InChIKeySUFXKNOFKXZPGU-UHFFFAOYSA-N
XLogP3.65
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-propylquinoxalin-2-one
CID 53131479
3-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-1-propylquinoxalin-2-one
CID 53001361
1-propyl-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoxalin-2-one
CID 53131492
3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-propylquinoxalin-2-one
CID 53131511
3-[4-(3,4-diethoxybenzoyl)piperazin-1-yl]-1-propylquinoxalin-2-one
CID 50837525
1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-piperidin-1-ylquinoxalin-2-one
CID 91951434
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
1-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-3-phenylbutan-1-one
CID 84586134
1-ethyl-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoxalin-2-one
CID 46393079
N-benzyl-4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carboxamide
CID 53070083
5,6-dimethyl-3-[4-(3-phenylbutanoyl)piperazin-1-yl]pyridazine-4-carbonitrile
CID 47072340

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-phenylbutanoyl)piperazin-1-yl]-1-propylquinoxalin-2-one?
The IUPAC name of 3-[4-(3-phenylbutanoyl)piperazin-1-yl]-1-propylquinoxalin-2-one (CID 53131475) is 3-[4-(3-phenylbutanoyl)piperazin-1-yl]-1-propylquinoxalin-2-one.
What is the SMILES notation for 3-[4-(3-phenylbutanoyl)piperazin-1-yl]-1-propylquinoxalin-2-one?
The canonical SMILES for 3-[4-(3-phenylbutanoyl)piperazin-1-yl]-1-propylquinoxalin-2-one is CCCn1c(=O)c(N2CCN(C(=O)CC(C)c3ccccc3)CC2)nc2ccccc21.
What is the InChIKey of 3-[4-(3-phenylbutanoyl)piperazin-1-yl]-1-propylquinoxalin-2-one?
The InChIKey is SUFXKNOFKXZPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-3-13-29-22-12-8-7-11-21(22)26-24(25(29)31)28-16-14-27(15-17-28)23(30)18-19(2)20-9-5-4-6-10-20/h4-12,19H,3,13-18H2,1-2H3.
What are the key properties of 3-[4-(3-phenylbutanoyl)piperazin-1-yl]-1-propylquinoxalin-2-one?
3-[4-(3-phenylbutanoyl)piperazin-1-yl]-1-propylquinoxalin-2-one has a molecular weight of 418.54 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-phenylbutanoyl)piperazin-1-yl]-1-propylquinoxalin-2-one is sourced from PubChem (CID 53131475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).