N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

C24H30N4O2 — CID 55610358

IUPACN-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCCN1CCN(c2ccc(NC(=O)C3CC(=O)N(c4ccccc4)C3)c(C)c2)CC1
InChIInChI=1S/C24H30N4O2/c1-3-26-11-13-27(14-12-26)21-9-10-22(18(2)15-21)25-24(30)19-16-23(29)28(17-19)20-7-5-4-6-8-20/h4-10,15,19H,3,11-14,16-17H2,1-2H3,(H,25,30)
InChIKeyRSFKZWCFNIBPRX-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.13
Rot. Bonds5

About N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 55610358) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID55610358
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCCN1CCN(c2ccc(NC(=O)C3CC(=O)N(c4ccccc4)C3)c(C)c2)CC1
InChIInChI=1S/C24H30N4O2/c1-3-26-11-13-27(14-12-26)21-9-10-22(18(2)15-21)25-24(30)19-16-23(29)28(17-19)20-7-5-4-6-8-20/h4-10,15,19H,3,11-14,16-17H2,1-2H3,(H,25,30)
InChIKeyRSFKZWCFNIBPRX-UHFFFAOYSA-N
XLogP3.13
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
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

(3R)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 40974935
N-(2-methyl-4-nitrophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080530
1-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-phenylurea
CID 36824225
1-(2-fluorophenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55615249
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 47071599
(3S)-N-(2,4-dimethylphenyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 847984
(3R)-N-(4-bromo-2-ethylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9004445
N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2883840
(3S)-1-(4-chlorophenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 805632
(3S)-1-(4-fluorophenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 679855
N-(4-bromo-2-methylphenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118645
1-(4-bromo-3-methylphenyl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55578133

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 55610358) is N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is CCN1CCN(c2ccc(NC(=O)C3CC(=O)N(c4ccccc4)C3)c(C)c2)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is RSFKZWCFNIBPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-3-26-11-13-27(14-12-26)21-9-10-22(18(2)15-21)25-24(30)19-16-23(29)28(17-19)20-7-5-4-6-8-20/h4-10,15,19H,3,11-14,16-17H2,1-2H3,(H,25,30).
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 55610358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).