4-[(4-methyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide

C26H32N4O3 — CID 92895110

IUPAC4-[(4-methyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
SMILESC[C@H]1CCCCN1CCCNC(=O)c1ccc(Cn2c(=O)c(=O)n(C)c3ccccc32)cc1
InChIInChI=1S/C26H32N4O3/c1-19-8-5-6-16-29(19)17-7-15-27-24(31)21-13-11-20(12-14-21)18-30-23-10-4-3-9-22(23)28(2)25(32)26(30)33/h3-4,9-14,19H,5-8,15-18H2,1-2H3,(H,27,31)/t19-/m0/s1
InChIKeyUIUUWHWRONCXEC-IBGZPJMESA-N
MW448.57 g/mol
LogP2.74
Rot. Bonds7

About 4-[(4-methyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide

4-[(4-methyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide (PubChem CID 92895110) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is 4-[(4-methyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide.

Molecular Properties

Compound Name4-[(4-methyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
PubChem CID92895110
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC Name4-[(4-methyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
SMILESC[C@H]1CCCCN1CCCNC(=O)c1ccc(Cn2c(=O)c(=O)n(C)c3ccccc32)cc1
InChIInChI=1S/C26H32N4O3/c1-19-8-5-6-16-29(19)17-7-15-27-24(31)21-13-11-20(12-14-21)18-30-23-10-4-3-9-22(23)28(2)25(32)26(30)33/h3-4,9-14,19H,5-8,15-18H2,1-2H3,(H,27,31)/t19-/m0/s1
InChIKeyUIUUWHWRONCXEC-IBGZPJMESA-N
XLogP2.74
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[(4-methyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide with MolForge

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Related Compounds

N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
1-benzyl-3-methyl-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-oxoquinoxaline-6-carboxamide
CID 95065821
4-amino-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 38989093
4-bromo-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 7998756
N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-4-methylsulfanylbenzamide
CID 9473480
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-methylsulfonylbenzamide
CID 9473048
4-[(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 50817147
3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9473209
N-[4-(2-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide
CID 51115795
N-[2-[3-(2-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide
CID 85018800
4-cyano-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9472549
4-cyano-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9472553

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide?
The IUPAC name of 4-[(4-methyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide (CID 92895110) is 4-[(4-methyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide.
What is the SMILES notation for 4-[(4-methyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide?
The canonical SMILES for 4-[(4-methyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide is C[C@H]1CCCCN1CCCNC(=O)c1ccc(Cn2c(=O)c(=O)n(C)c3ccccc32)cc1.
What is the InChIKey of 4-[(4-methyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide?
The InChIKey is UIUUWHWRONCXEC-IBGZPJMESA-N. The full InChI is InChI=1S/C26H32N4O3/c1-19-8-5-6-16-29(19)17-7-15-27-24(31)21-13-11-20(12-14-21)18-30-23-10-4-3-9-22(23)28(2)25(32)26(30)33/h3-4,9-14,19H,5-8,15-18H2,1-2H3,(H,27,31)/t19-/m0/s1.
What are the key properties of 4-[(4-methyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide?
4-[(4-methyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide has a molecular weight of 448.57 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide is sourced from PubChem (CID 92895110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).