1-[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]-2,4-dihydropyrido[3,4-b]pyrazin-3-one

C22H24N4O3 — CID 127361944

IUPAC1-[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]-2,4-dihydropyrido[3,4-b]pyrazin-3-one
SMILESCc1cc(C)cc(C(=O)N2CCCC(C(=O)N3CC(=O)Nc4cnccc43)C2)c1
InChIInChI=1S/C22H24N4O3/c1-14-8-15(2)10-17(9-14)21(28)25-7-3-4-16(12-25)22(29)26-13-20(27)24-18-11-23-6-5-19(18)26/h5-6,8-11,16H,3-4,7,12-13H2,1-2H3,(H,24,27)
InChIKeyMWQJUCDAXNWRAG-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.54
Rot. Bonds2

About 1-[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]-2,4-dihydropyrido[3,4-b]pyrazin-3-one

1-[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]-2,4-dihydropyrido[3,4-b]pyrazin-3-one (PubChem CID 127361944) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]-2,4-dihydropyrido[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name1-[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]-2,4-dihydropyrido[3,4-b]pyrazin-3-one
PubChem CID127361944
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name1-[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]-2,4-dihydropyrido[3,4-b]pyrazin-3-one
SMILESCc1cc(C)cc(C(=O)N2CCCC(C(=O)N3CC(=O)Nc4cnccc43)C2)c1
InChIInChI=1S/C22H24N4O3/c1-14-8-15(2)10-17(9-14)21(28)25-7-3-4-16(12-25)22(29)26-13-20(27)24-18-11-23-6-5-19(18)26/h5-6,8-11,16H,3-4,7,12-13H2,1-2H3,(H,24,27)
InChIKeyMWQJUCDAXNWRAG-UHFFFAOYSA-N
XLogP2.54
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
The IUPAC name of 1-[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]-2,4-dihydropyrido[3,4-b]pyrazin-3-one (CID 127361944) is 1-[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]-2,4-dihydropyrido[3,4-b]pyrazin-3-one.
What is the SMILES notation for 1-[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
The canonical SMILES for 1-[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]-2,4-dihydropyrido[3,4-b]pyrazin-3-one is Cc1cc(C)cc(C(=O)N2CCCC(C(=O)N3CC(=O)Nc4cnccc43)C2)c1.
What is the InChIKey of 1-[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
The InChIKey is MWQJUCDAXNWRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-14-8-15(2)10-17(9-14)21(28)25-7-3-4-16(12-25)22(29)26-13-20(27)24-18-11-23-6-5-19(18)26/h5-6,8-11,16H,3-4,7,12-13H2,1-2H3,(H,24,27).
What are the key properties of 1-[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
1-[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]-2,4-dihydropyrido[3,4-b]pyrazin-3-one has a molecular weight of 392.46 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]-2,4-dihydropyrido[3,4-b]pyrazin-3-one is sourced from PubChem (CID 127361944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).