1-[(4-chlorophenyl)methyl]-4-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinoxaline-2,3-dione

C23H24ClN3O3 — CID 92867317

IUPAC1-[(4-chlorophenyl)methyl]-4-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinoxaline-2,3-dione
SMILESC[C@H]1CCCN(C(=O)Cn2c(=O)c(=O)n(Cc3ccc(Cl)cc3)c3ccccc32)C1
InChIInChI=1S/C23H24ClN3O3/c1-16-5-4-12-25(13-16)21(28)15-27-20-7-3-2-6-19(20)26(22(29)23(27)30)14-17-8-10-18(24)11-9-17/h2-3,6-11,16H,4-5,12-15H2,1H3/t16-/m0/s1
InChIKeyJWXCBFDPPNDSAD-INIZCTEOSA-N
MW425.92 g/mol
LogP3.12
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-4-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinoxaline-2,3-dione

1-[(4-chlorophenyl)methyl]-4-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinoxaline-2,3-dione (PubChem CID 92867317) has the molecular formula C23H24ClN3O3 and a molecular weight of 425.92 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-4-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinoxaline-2,3-dione.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-4-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinoxaline-2,3-dione
PubChem CID92867317
Molecular FormulaC23H24ClN3O3
Molecular Weight425.92 g/mol
Exact Mass425.15
IUPAC Name1-[(4-chlorophenyl)methyl]-4-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinoxaline-2,3-dione
SMILESC[C@H]1CCCN(C(=O)Cn2c(=O)c(=O)n(Cc3ccc(Cl)cc3)c3ccccc32)C1
InChIInChI=1S/C23H24ClN3O3/c1-16-5-4-12-25(13-16)21(28)15-27-20-7-3-2-6-19(20)26(22(29)23(27)30)14-17-8-10-18(24)11-9-17/h2-3,6-11,16H,4-5,12-15H2,1H3/t16-/m0/s1
InChIKeyJWXCBFDPPNDSAD-INIZCTEOSA-N
XLogP3.12
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-[(4-chlorophenyl)methyl]-4-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinoxaline-2,3-dione with MolForge

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Related Compounds

1-[(4-chlorophenyl)methyl]-4-(2-oxo-2-piperidin-1-ylethyl)quinoxaline-2,3-dione
CID 46357345
1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)quinazoline-2,4-dione
CID 7450521
1-[(4-chlorophenyl)methyl]-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]quinoxaline-2,3-dione
CID 46357331
2-[[4-benzyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methylpiperidin-1-yl)ethanone
CID 4793848
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 4062713
1-[2-[3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one
CID 110119676
6-benzyl-1-ethyl-3-methyl-4-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]pyrazolo[4,5-d]pyrimidine-5,7-dione
CID 95063449
2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-[(3S)-3-pyrrolidin-1-ylbutyl]acetamide
CID 92876374
2-indol-1-yl-1-(3-methylpiperidin-1-yl)ethanone
CID 110702436
3-[2-(4-chlorophenyl)ethylamino]-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109028026
1-[(3R)-3-methylpiperidin-1-yl]-2-(2-methylsulfonylbenzimidazol-1-yl)ethanone
CID 26550314
1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone
CID 668860

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-4-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinoxaline-2,3-dione?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-4-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinoxaline-2,3-dione (CID 92867317) is 1-[(4-chlorophenyl)methyl]-4-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinoxaline-2,3-dione.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-4-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinoxaline-2,3-dione?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-4-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinoxaline-2,3-dione is C[C@H]1CCCN(C(=O)Cn2c(=O)c(=O)n(Cc3ccc(Cl)cc3)c3ccccc32)C1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-4-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinoxaline-2,3-dione?
The InChIKey is JWXCBFDPPNDSAD-INIZCTEOSA-N. The full InChI is InChI=1S/C23H24ClN3O3/c1-16-5-4-12-25(13-16)21(28)15-27-20-7-3-2-6-19(20)26(22(29)23(27)30)14-17-8-10-18(24)11-9-17/h2-3,6-11,16H,4-5,12-15H2,1H3/t16-/m0/s1.
What are the key properties of 1-[(4-chlorophenyl)methyl]-4-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinoxaline-2,3-dione?
1-[(4-chlorophenyl)methyl]-4-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinoxaline-2,3-dione has a molecular weight of 425.92 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-4-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinoxaline-2,3-dione is sourced from PubChem (CID 92867317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).