N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide

C25H27N3O4 — CID 55677590

IUPACN-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
SMILESCC1CC(C)CN(C(=O)c2ccccc2NC(=O)c2cccc(N3C(=O)CCC3=O)c2)C1
InChIInChI=1S/C25H27N3O4/c1-16-12-17(2)15-27(14-16)25(32)20-8-3-4-9-21(20)26-24(31)18-6-5-7-19(13-18)28-22(29)10-11-23(28)30/h3-9,13,16-17H,10-12,14-15H2,1-2H3,(H,26,31)
InChIKeyZGBNBASBSYBSIZ-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.71
Rot. Bonds4

About N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide

N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide (PubChem CID 55677590) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
PubChem CID55677590
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC NameN-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
SMILESCC1CC(C)CN(C(=O)c2ccccc2NC(=O)c2cccc(N3C(=O)CCC3=O)c2)C1
InChIInChI=1S/C25H27N3O4/c1-16-12-17(2)15-27(14-16)25(32)20-8-3-4-9-21(20)26-24(31)18-6-5-7-19(13-18)28-22(29)10-11-23(28)30/h3-9,13,16-17H,10-12,14-15H2,1-2H3,(H,26,31)
InChIKeyZGBNBASBSYBSIZ-UHFFFAOYSA-N
XLogP3.71
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 51942835
N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 51942841
4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 46543764
N-(2,3-dimethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 7733040
5-bromo-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 46437154
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 46442928
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 55895253
4-(cyclopropanecarbonylamino)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]benzamide
CID 46442929
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-6-methylpyridine-2-carboxamide
CID 46442735
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 43048910
[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204672
N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzamide
CID 42888700

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide (CID 55677590) is N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide is CC1CC(C)CN(C(=O)c2ccccc2NC(=O)c2cccc(N3C(=O)CCC3=O)c2)C1.
What is the InChIKey of N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
The InChIKey is ZGBNBASBSYBSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-16-12-17(2)15-27(14-16)25(32)20-8-3-4-9-21(20)26-24(31)18-6-5-7-19(13-18)28-22(29)10-11-23(28)30/h3-9,13,16-17H,10-12,14-15H2,1-2H3,(H,26,31).
What are the key properties of N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide has a molecular weight of 433.51 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 55677590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).