1-(2-fluoro-4-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide

C24H29FN4O2 — CID 56517399

IUPAC1-(2-fluoro-4-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NCc3ccccc3N3CCN(C)CC3)CC2=O)c(F)c1
InChIInChI=1S/C24H29FN4O2/c1-17-7-8-22(20(25)13-17)29-16-19(14-23(29)30)24(31)26-15-18-5-3-4-6-21(18)28-11-9-27(2)10-12-28/h3-8,13,19H,9-12,14-16H2,1-2H3,(H,26,31)
InChIKeyIIWPPDBTLLCVMC-UHFFFAOYSA-N
MW424.52 g/mol
LogP2.56
Rot. Bonds5

About 1-(2-fluoro-4-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide

1-(2-fluoro-4-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 56517399) has the molecular formula C24H29FN4O2 and a molecular weight of 424.52 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluoro-4-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID56517399
Molecular FormulaC24H29FN4O2
Molecular Weight424.52 g/mol
Exact Mass424.23
IUPAC Name1-(2-fluoro-4-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NCc3ccccc3N3CCN(C)CC3)CC2=O)c(F)c1
InChIInChI=1S/C24H29FN4O2/c1-17-7-8-22(20(25)13-17)29-16-19(14-23(29)30)24(31)26-15-18-5-3-4-6-21(18)28-11-9-27(2)10-12-28/h3-8,13,19H,9-12,14-16H2,1-2H3,(H,26,31)
InChIKeyIIWPPDBTLLCVMC-UHFFFAOYSA-N
XLogP2.56
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-difluorophenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 56517678
1-(2-fluoro-4-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 55745814
1-(2-fluoro-4-methylphenyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 55695071
1-(2-fluoro-4-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 55606546
1-(2-fluoro-4-methylphenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 55604654
1-(2-fluoro-4-methylphenyl)-N-(3-hydroxybutyl)-5-oxopyrrolidine-3-carboxamide
CID 111429196
1-(2-fluoro-4-methylphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 55616189
N-[2-(benzenesulfonyl)ethyl]-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55844211
4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2-fluoro-4-methylphenyl)pyrrolidin-2-one
CID 55604907
1-(2-fluoro-4-methylphenyl)-N-[(1-hydroxycyclobutyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 111539807
2-[[[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245089
1-(2-fluoro-4-methylphenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 56555209

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-fluoro-4-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide (CID 56517399) is 1-(2-fluoro-4-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-fluoro-4-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-fluoro-4-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)NCc3ccccc3N3CCN(C)CC3)CC2=O)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is IIWPPDBTLLCVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O2/c1-17-7-8-22(20(25)13-17)29-16-19(14-23(29)30)24(31)26-15-18-5-3-4-6-21(18)28-11-9-27(2)10-12-28/h3-8,13,19H,9-12,14-16H2,1-2H3,(H,26,31).
What are the key properties of 1-(2-fluoro-4-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
1-(2-fluoro-4-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 424.52 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 56517399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).