N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide

C23H28N4O2 — CID 18127986

IUPACN-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C23H28N4O2/c1-17-15-19(26-13-11-25(2)12-14-26)8-9-21(17)24-23(29)18-5-3-6-20(16-18)27-10-4-7-22(27)28/h3,5-6,8-9,15-16H,4,7,10-14H2,1-2H3,(H,24,29)
InChIKeyOXCJIXMOKIHAPO-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.13
Rot. Bonds4

About N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide

N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 18127986) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID18127986
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C23H28N4O2/c1-17-15-19(26-13-11-25(2)12-14-26)8-9-21(17)24-23(29)18-5-3-6-20(16-18)27-10-4-7-22(27)28/h3,5-6,8-9,15-16H,4,7,10-14H2,1-2H3,(H,24,29)
InChIKeyOXCJIXMOKIHAPO-UHFFFAOYSA-N
XLogP3.13
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 18158969
N-(2-bromo-4-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 27826911
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]benzamide
CID 55788437
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-9-oxofluorene-2-carboxamide
CID 24624504
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-(propylsulfamoyl)benzamide
CID 26711987
N-(2,6-difluorophenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 93174706
N-(3-hydroxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816654
N-(1-methyl-2,3-dihydroindol-6-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 155946788
3-(dimethylamino)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42157817
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 55895253
3,4-diethoxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 36559277
N-(5-methyl-2-pyridinyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 51250769

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide (CID 18127986) is N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide is Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is OXCJIXMOKIHAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-17-15-19(26-13-11-25(2)12-14-26)8-9-21(17)24-23(29)18-5-3-6-20(16-18)27-10-4-7-22(27)28/h3,5-6,8-9,15-16H,4,7,10-14H2,1-2H3,(H,24,29).
What are the key properties of N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 392.50 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 18127986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).