1-methyl-4-[1-[(3-methylphenyl)methyl]piperidin-4-yl]quinoxaline-2,3-dione

C22H25N3O2 — CID 170417729

IUPAC1-methyl-4-[1-[(3-methylphenyl)methyl]piperidin-4-yl]quinoxaline-2,3-dione
SMILESCc1cccc(CN2CCC(n3c(=O)c(=O)n(C)c4ccccc43)CC2)c1
InChIInChI=1S/C22H25N3O2/c1-16-6-5-7-17(14-16)15-24-12-10-18(11-13-24)25-20-9-4-3-8-19(20)23(2)21(26)22(25)27/h3-9,14,18H,10-13,15H2,1-2H3
InChIKeyASEYHCMIZRPDLE-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.85
Rot. Bonds3

About 1-methyl-4-[1-[(3-methylphenyl)methyl]piperidin-4-yl]quinoxaline-2,3-dione

1-methyl-4-[1-[(3-methylphenyl)methyl]piperidin-4-yl]quinoxaline-2,3-dione (PubChem CID 170417729) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-methyl-4-[1-[(3-methylphenyl)methyl]piperidin-4-yl]quinoxaline-2,3-dione.

Molecular Properties

Compound Name1-methyl-4-[1-[(3-methylphenyl)methyl]piperidin-4-yl]quinoxaline-2,3-dione
PubChem CID170417729
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name1-methyl-4-[1-[(3-methylphenyl)methyl]piperidin-4-yl]quinoxaline-2,3-dione
SMILESCc1cccc(CN2CCC(n3c(=O)c(=O)n(C)c4ccccc43)CC2)c1
InChIInChI=1S/C22H25N3O2/c1-16-6-5-7-17(14-16)15-24-12-10-18(11-13-24)25-20-9-4-3-8-19(20)23(2)21(26)22(25)27/h3-9,14,18H,10-13,15H2,1-2H3
InChIKeyASEYHCMIZRPDLE-UHFFFAOYSA-N
XLogP2.85
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-4-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-1-methylquinoxaline-2,3-dione
CID 170358830
1-(1-benzylpiperidin-4-yl)-4-[(3-methylphenyl)methyl]piperazine;oxalic acid
CID 17366774
4-methyl-2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,2,4-triazol-3-one
CID 122268851
1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine
CID 153136361
1-(1-benzylpiperidin-4-yl)-6-methylquinolin-2-one;hydrochloride
CID 19030841
1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-4-phenylpiperazine;oxalic acid
CID 17369760
1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propan-1-one
CID 83983411
N-benzyl-N-methyl-1-[(3-methylphenyl)methyl]piperidin-4-amine;oxalic acid
CID 17369343
1-methyl-3-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]benzimidazol-2-one
CID 172967923
N-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropanesulfonamide
CID 163349558
2-[methyl-[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 82548262
4-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one
CID 138379737

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-[(3-methylphenyl)methyl]piperidin-4-yl]quinoxaline-2,3-dione?
The IUPAC name of 1-methyl-4-[1-[(3-methylphenyl)methyl]piperidin-4-yl]quinoxaline-2,3-dione (CID 170417729) is 1-methyl-4-[1-[(3-methylphenyl)methyl]piperidin-4-yl]quinoxaline-2,3-dione.
What is the SMILES notation for 1-methyl-4-[1-[(3-methylphenyl)methyl]piperidin-4-yl]quinoxaline-2,3-dione?
The canonical SMILES for 1-methyl-4-[1-[(3-methylphenyl)methyl]piperidin-4-yl]quinoxaline-2,3-dione is Cc1cccc(CN2CCC(n3c(=O)c(=O)n(C)c4ccccc43)CC2)c1.
What is the InChIKey of 1-methyl-4-[1-[(3-methylphenyl)methyl]piperidin-4-yl]quinoxaline-2,3-dione?
The InChIKey is ASEYHCMIZRPDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-16-6-5-7-17(14-16)15-24-12-10-18(11-13-24)25-20-9-4-3-8-19(20)23(2)21(26)22(25)27/h3-9,14,18H,10-13,15H2,1-2H3.
What are the key properties of 1-methyl-4-[1-[(3-methylphenyl)methyl]piperidin-4-yl]quinoxaline-2,3-dione?
1-methyl-4-[1-[(3-methylphenyl)methyl]piperidin-4-yl]quinoxaline-2,3-dione has a molecular weight of 363.46 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1-[(3-methylphenyl)methyl]piperidin-4-yl]quinoxaline-2,3-dione is sourced from PubChem (CID 170417729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).