1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-3-phenoxypropan-1-one

C24H26N4O3 — CID 108536488

IUPAC1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-3-phenoxypropan-1-one
SMILESCc1nc2ccc(C(=O)N3CCN(C(=O)CCOc4ccccc4)CC3)cc2nc1C
InChIInChI=1S/C24H26N4O3/c1-17-18(2)26-22-16-19(8-9-21(22)25-17)24(30)28-13-11-27(12-14-28)23(29)10-15-31-20-6-4-3-5-7-20/h3-9,16H,10-15H2,1-2H3
InChIKeyMRUPZXXYIWAEPJ-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.00
Rot. Bonds5

About 1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-3-phenoxypropan-1-one

1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-3-phenoxypropan-1-one (PubChem CID 108536488) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-3-phenoxypropan-1-one.

Molecular Properties

Compound Name1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-3-phenoxypropan-1-one
PubChem CID108536488
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-3-phenoxypropan-1-one
SMILESCc1nc2ccc(C(=O)N3CCN(C(=O)CCOc4ccccc4)CC3)cc2nc1C
InChIInChI=1S/C24H26N4O3/c1-17-18(2)26-22-16-19(8-9-21(22)25-17)24(30)28-13-11-27(12-14-28)23(29)10-15-31-20-6-4-3-5-7-20/h3-9,16H,10-15H2,1-2H3
InChIKeyMRUPZXXYIWAEPJ-UHFFFAOYSA-N
XLogP3.00
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 48866719
1-(4-benzoylpiperazin-1-yl)-3-phenoxypropan-1-one
CID 112507736
N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]-4-phenoxybutanamide
CID 108553625
1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 34478048
1-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-3-phenoxypropan-1-one
CID 110798285
2-chloro-1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]ethanone
CID 108569331
(2,3-dimethylquinoxalin-6-yl)-(4-phenylpiperazin-1-yl)methanone
CID 9032564
3-phenoxy-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propan-1-one
CID 108569450
3-phenoxy-1-[4-(3,4,5-trihydroxybenzoyl)piperazin-1-yl]propan-1-one
CID 108534866
1-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 110802801
(2,3-dimethylquinoxalin-6-yl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 108533154
1-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-3-phenoxypropan-1-one
CID 108544802

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-3-phenoxypropan-1-one?
The IUPAC name of 1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-3-phenoxypropan-1-one (CID 108536488) is 1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-3-phenoxypropan-1-one.
What is the SMILES notation for 1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-3-phenoxypropan-1-one?
The canonical SMILES for 1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-3-phenoxypropan-1-one is Cc1nc2ccc(C(=O)N3CCN(C(=O)CCOc4ccccc4)CC3)cc2nc1C.
What is the InChIKey of 1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-3-phenoxypropan-1-one?
The InChIKey is MRUPZXXYIWAEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-17-18(2)26-22-16-19(8-9-21(22)25-17)24(30)28-13-11-27(12-14-28)23(29)10-15-31-20-6-4-3-5-7-20/h3-9,16H,10-15H2,1-2H3.
What are the key properties of 1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-3-phenoxypropan-1-one?
1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-3-phenoxypropan-1-one has a molecular weight of 418.50 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-3-phenoxypropan-1-one is sourced from PubChem (CID 108536488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).