N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide

C23H28N4O2 — CID 42239391

IUPACN-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCCN1CCN(c2ccc(NC(=O)c3ccc(N4CCCC4=O)cc3)cc2)CC1
InChIInChI=1S/C23H28N4O2/c1-2-25-14-16-26(17-15-25)20-11-7-19(8-12-20)24-23(29)18-5-9-21(10-6-18)27-13-3-4-22(27)28/h5-12H,2-4,13-17H2,1H3,(H,24,29)
InChIKeyOZGSLEBXFHDXQI-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.21
Rot. Bonds5

About N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 42239391) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID42239391
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCCN1CCN(c2ccc(NC(=O)c3ccc(N4CCCC4=O)cc3)cc2)CC1
InChIInChI=1S/C23H28N4O2/c1-2-25-14-16-26(17-15-25)20-11-7-19(8-12-20)24-23(29)18-5-9-21(10-6-18)27-13-3-4-22(27)28/h5-12H,2-4,13-17H2,1H3,(H,24,29)
InChIKeyOZGSLEBXFHDXQI-UHFFFAOYSA-N
XLogP3.21
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.21
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

4-(2-oxopyrrolidin-1-yl)-N-(4-piperidin-1-ylphenyl)benzamide
CID 7922377
4-acetamido-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 78788340
N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 3837739
methyl 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate
CID 8747295
4-(carbamoylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 26127679
N-[4-(2-methylpropanoylamino)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 26680013
N-(4-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9412020
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 37043367
N-(4-acetylphenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 9242933
N-(4-ethylsulfonylphenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 39862925
N,N-diethyl-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide
CID 32620770
N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-pyridin-4-ylbenzamide
CID 71762286

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 42239391) is N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide is CCN1CCN(c2ccc(NC(=O)c3ccc(N4CCCC4=O)cc3)cc2)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is OZGSLEBXFHDXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-2-25-14-16-26(17-15-25)20-11-7-19(8-12-20)24-23(29)18-5-9-21(10-6-18)27-13-3-4-22(27)28/h5-12H,2-4,13-17H2,1H3,(H,24,29).
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 392.50 g/mol, XLogP of 3.21, 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)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 42239391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).