N-[2-(4-methylpiperazin-1-yl)phenyl]-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide

C25H32N4O2 — CID 43059671

IUPACN-[2-(4-methylpiperazin-1-yl)phenyl]-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide
SMILESCCCc1ccc(N2CC(C(=O)Nc3ccccc3N3CCN(C)CC3)CC2=O)cc1
InChIInChI=1S/C25H32N4O2/c1-3-6-19-9-11-21(12-10-19)29-18-20(17-24(29)30)25(31)26-22-7-4-5-8-23(22)28-15-13-27(2)14-16-28/h4-5,7-12,20H,3,6,13-18H2,1-2H3,(H,26,31)
InChIKeyXRCVSEWAQJGQQO-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.38
Rot. Bonds6

About N-[2-(4-methylpiperazin-1-yl)phenyl]-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide

N-[2-(4-methylpiperazin-1-yl)phenyl]-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide (PubChem CID 43059671) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)phenyl]-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)phenyl]-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide
PubChem CID43059671
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC NameN-[2-(4-methylpiperazin-1-yl)phenyl]-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide
SMILESCCCc1ccc(N2CC(C(=O)Nc3ccccc3N3CCN(C)CC3)CC2=O)cc1
InChIInChI=1S/C25H32N4O2/c1-3-6-19-9-11-21(12-10-19)29-18-20(17-24(29)30)25(31)26-22-7-4-5-8-23(22)28-15-13-27(2)14-16-28/h4-5,7-12,20H,3,6,13-18H2,1-2H3,(H,26,31)
InChIKeyXRCVSEWAQJGQQO-UHFFFAOYSA-N
XLogP3.38
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)-5-oxo-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 112789393
(3S)-1-(4-ethylphenyl)-N-(2-iodophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1102168
1-(4-ethylphenyl)-5-oxo-N-[2-(triazol-1-yl)phenyl]pyrrolidine-3-carboxamide
CID 112827657
N-[2-(dimethylamino)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 43063969
N-(2-amino-2-methylpropyl)-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119628581
N-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide
CID 42890394
5-oxo-1-(2-phenylethyl)-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 42977398
1-(4-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 3116947
N-(2-hydroxyphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108803681
(3R)-5-oxo-1-(4-propylphenyl)-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 51935594
(3R)-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30929926
(2R)-2-[[5-oxo-1-(4-propylphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 119370329

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)phenyl]-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)phenyl]-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide (CID 43059671) is N-[2-(4-methylpiperazin-1-yl)phenyl]-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)phenyl]-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)phenyl]-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide is CCCc1ccc(N2CC(C(=O)Nc3ccccc3N3CCN(C)CC3)CC2=O)cc1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)phenyl]-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is XRCVSEWAQJGQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-3-6-19-9-11-21(12-10-19)29-18-20(17-24(29)30)25(31)26-22-7-4-5-8-23(22)28-15-13-27(2)14-16-28/h4-5,7-12,20H,3,6,13-18H2,1-2H3,(H,26,31).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)phenyl]-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide?
N-[2-(4-methylpiperazin-1-yl)phenyl]-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 420.56 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)phenyl]-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 43059671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).