4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]-1,3-dihydroquinoxalin-2-one

C22H23N3O3 — CID 139000918

IUPAC4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]-1,3-dihydroquinoxalin-2-one
SMILESCc1ccc(C(=O)N2CCCC(C(=O)N3CC(=O)Nc4ccccc43)C2)cc1
InChIInChI=1S/C22H23N3O3/c1-15-8-10-16(11-9-15)21(27)24-12-4-5-17(13-24)22(28)25-14-20(26)23-18-6-2-3-7-19(18)25/h2-3,6-11,17H,4-5,12-14H2,1H3,(H,23,26)
InChIKeyUCTVRWMECAQZCK-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.83
Rot. Bonds2

About 4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]-1,3-dihydroquinoxalin-2-one

4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 139000918) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]-1,3-dihydroquinoxalin-2-one
PubChem CID139000918
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]-1,3-dihydroquinoxalin-2-one
SMILESCc1ccc(C(=O)N2CCCC(C(=O)N3CC(=O)Nc4ccccc43)C2)cc1
InChIInChI=1S/C22H23N3O3/c1-15-8-10-16(11-9-15)21(27)24-12-4-5-17(13-24)22(28)25-14-20(26)23-18-6-2-3-7-19(18)25/h2-3,6-11,17H,4-5,12-14H2,1H3,(H,23,26)
InChIKeyUCTVRWMECAQZCK-UHFFFAOYSA-N
XLogP2.83
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]-2,4-dihydropyrido[3,4-b]pyrazin-3-one
CID 127361944
4-(1-acetylpiperidine-4-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 110667506
(3S)-1-[1-(4-methylbenzoyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136477
(3S)-1-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]piperidine-3-carboxylic acid
CID 119173948
(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342
1-ethyl-4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]piperazin-2-one
CID 139002759
methyl (3S)-1-(4-methylbenzoyl)piperidine-3-carboxylate
CID 78919310
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone;hydrochloride
CID 120656131
4-(pyrrolidine-3-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 63006373
4-(2-methylpiperidine-4-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 106738692
[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone
CID 119412708
(3-hydroxy-3-propan-2-ylazetidin-1-yl)-[1-(4-methylbenzoyl)piperidin-3-yl]methanone
CID 139006941

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]-1,3-dihydroquinoxalin-2-one (CID 139000918) is 4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]-1,3-dihydroquinoxalin-2-one is Cc1ccc(C(=O)N2CCCC(C(=O)N3CC(=O)Nc4ccccc43)C2)cc1.
What is the InChIKey of 4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is UCTVRWMECAQZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-15-8-10-16(11-9-15)21(27)24-12-4-5-17(13-24)22(28)25-14-20(26)23-18-6-2-3-7-19(18)25/h2-3,6-11,17H,4-5,12-14H2,1H3,(H,23,26).
What are the key properties of 4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]-1,3-dihydroquinoxalin-2-one?
4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 377.44 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 139000918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).