N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-(2-oxopyrrolidin-1-yl)benzamide

C26H31N3O3 — CID 55895253

IUPACN-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1ccc(C(=O)N2CC(C)CC(C)C2)cc1NC(=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C26H31N3O3/c1-17-12-18(2)16-28(15-17)26(32)21-10-9-19(3)23(14-21)27-25(31)20-6-4-7-22(13-20)29-11-5-8-24(29)30/h4,6-7,9-10,13-14,17-18H,5,8,11-12,15-16H2,1-3H3,(H,27,31)
InChIKeyVHJBPPZZOVZBHY-UHFFFAOYSA-N
MW433.55 g/mol
LogP4.49
Rot. Bonds4

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

N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 55895253) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID55895253
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC NameN-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1ccc(C(=O)N2CC(C)CC(C)C2)cc1NC(=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C26H31N3O3/c1-17-12-18(2)16-28(15-17)26(32)21-10-9-19(3)23(14-21)27-25(31)20-6-4-7-22(13-20)29-11-5-8-24(29)30/h4,6-7,9-10,13-14,17-18H,5,8,11-12,15-16H2,1-3H3,(H,27,31)
InChIKeyVHJBPPZZOVZBHY-UHFFFAOYSA-N
XLogP4.49
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 46471677
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 55895387
(3S,4S)-4-methyl-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]pyrrolidine-3-carboxylic acid
CID 120953582
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-methyl-4-nitrobenzamide
CID 60534600
N-(2-bromo-4-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 27826911
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 55993376
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 55677590
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 18127986
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 55894881
[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8726008
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-hydroxy-3-methoxybenzamide
CID 112846190
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-methyl-3-nitrobenzamide
CID 60534688

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-(2-oxopyrrolidin-1-yl)benzamide (CID 55895253) is N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-(2-oxopyrrolidin-1-yl)benzamide is Cc1ccc(C(=O)N2CC(C)CC(C)C2)cc1NC(=O)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is VHJBPPZZOVZBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-17-12-18(2)16-28(15-17)26(32)21-10-9-19(3)23(14-21)27-25(31)20-6-4-7-22(13-20)29-11-5-8-24(29)30/h4,6-7,9-10,13-14,17-18H,5,8,11-12,15-16H2,1-3H3,(H,27,31).
What are the key properties of N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 433.55 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 55895253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).