2-[3-[4-[2-(2-methyl-5-phenyl-1H-pyrrol-3-yl)-2-oxoacetyl]piperazin-1-yl]phenoxy]acetamide

C25H26N4O4 — CID 25131994

IUPAC2-[3-[4-[2-(2-methyl-5-phenyl-1H-pyrrol-3-yl)-2-oxoacetyl]piperazin-1-yl]phenoxy]acetamide
SMILESCc1[nH]c(-c2ccccc2)cc1C(=O)C(=O)N1CCN(c2cccc(OCC(N)=O)c2)CC1
InChIInChI=1S/C25H26N4O4/c1-17-21(15-22(27-17)18-6-3-2-4-7-18)24(31)25(32)29-12-10-28(11-13-29)19-8-5-9-20(14-19)33-16-23(26)30/h2-9,14-15,27H,10-13,16H2,1H3,(H2,26,30)
InChIKeyFGWFVAFNGRZYAG-UHFFFAOYSA-N
MW446.51 g/mol
LogP2.39
Rot. Bonds7

About 2-[3-[4-[2-(2-methyl-5-phenyl-1H-pyrrol-3-yl)-2-oxoacetyl]piperazin-1-yl]phenoxy]acetamide

2-[3-[4-[2-(2-methyl-5-phenyl-1H-pyrrol-3-yl)-2-oxoacetyl]piperazin-1-yl]phenoxy]acetamide (PubChem CID 25131994) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is 2-[3-[4-[2-(2-methyl-5-phenyl-1H-pyrrol-3-yl)-2-oxoacetyl]piperazin-1-yl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[4-[2-(2-methyl-5-phenyl-1H-pyrrol-3-yl)-2-oxoacetyl]piperazin-1-yl]phenoxy]acetamide
PubChem CID25131994
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC Name2-[3-[4-[2-(2-methyl-5-phenyl-1H-pyrrol-3-yl)-2-oxoacetyl]piperazin-1-yl]phenoxy]acetamide
SMILESCc1[nH]c(-c2ccccc2)cc1C(=O)C(=O)N1CCN(c2cccc(OCC(N)=O)c2)CC1
InChIInChI=1S/C25H26N4O4/c1-17-21(15-22(27-17)18-6-3-2-4-7-18)24(31)25(32)29-12-10-28(11-13-29)19-8-5-9-20(14-19)33-16-23(26)30/h2-9,14-15,27H,10-13,16H2,1H3,(H2,26,30)
InChIKeyFGWFVAFNGRZYAG-UHFFFAOYSA-N
XLogP2.39
TPSA108.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-[3-[4-[2-(2-methyl-5-phenyl-1H-pyrrol-3-yl)-2-oxoacetyl]piperazin-1-yl]phenoxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-(2-methyl-5-phenyl-1H-pyrrol-3-yl)ethane-1,2-dione
CID 25130673
1-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-(2-methyl-5-phenyl-1H-pyrrol-3-yl)ethane-1,2-dione
CID 25132703
2-(2-methyl-5-phenyl-1H-pyrrol-3-yl)-2-oxoacetic acid
CID 67038933
2-[4-(4-phenylpiperazine-1-carbonyl)phenoxy]acetamide
CID 27671794
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(3-methylphenoxy)acetate
CID 8910389
2-(3-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 56698277
2-[3-[4-(naphthalene-1-carbonyl)piperazin-1-yl]phenoxy]acetic acid
CID 22399413
2-[2-methoxy-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenoxy]acetamide
CID 9089096
1,1'-biphenyl;2-phenoxyacetamide
CID 160961256
2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-1-(4-phenylpiperazin-1-yl)ethanone
CID 46266638
ethyl 5-(4-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrrole-3-carboxylate
CID 3851499
3-(2-amino-2-oxoethoxy)-N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 97133696

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[2-(2-methyl-5-phenyl-1H-pyrrol-3-yl)-2-oxoacetyl]piperazin-1-yl]phenoxy]acetamide?
The IUPAC name of 2-[3-[4-[2-(2-methyl-5-phenyl-1H-pyrrol-3-yl)-2-oxoacetyl]piperazin-1-yl]phenoxy]acetamide (CID 25131994) is 2-[3-[4-[2-(2-methyl-5-phenyl-1H-pyrrol-3-yl)-2-oxoacetyl]piperazin-1-yl]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[4-[2-(2-methyl-5-phenyl-1H-pyrrol-3-yl)-2-oxoacetyl]piperazin-1-yl]phenoxy]acetamide?
The canonical SMILES for 2-[3-[4-[2-(2-methyl-5-phenyl-1H-pyrrol-3-yl)-2-oxoacetyl]piperazin-1-yl]phenoxy]acetamide is Cc1[nH]c(-c2ccccc2)cc1C(=O)C(=O)N1CCN(c2cccc(OCC(N)=O)c2)CC1.
What is the InChIKey of 2-[3-[4-[2-(2-methyl-5-phenyl-1H-pyrrol-3-yl)-2-oxoacetyl]piperazin-1-yl]phenoxy]acetamide?
The InChIKey is FGWFVAFNGRZYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-17-21(15-22(27-17)18-6-3-2-4-7-18)24(31)25(32)29-12-10-28(11-13-29)19-8-5-9-20(14-19)33-16-23(26)30/h2-9,14-15,27H,10-13,16H2,1H3,(H2,26,30).
What are the key properties of 2-[3-[4-[2-(2-methyl-5-phenyl-1H-pyrrol-3-yl)-2-oxoacetyl]piperazin-1-yl]phenoxy]acetamide?
2-[3-[4-[2-(2-methyl-5-phenyl-1H-pyrrol-3-yl)-2-oxoacetyl]piperazin-1-yl]phenoxy]acetamide has a molecular weight of 446.51 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[2-(2-methyl-5-phenyl-1H-pyrrol-3-yl)-2-oxoacetyl]piperazin-1-yl]phenoxy]acetamide is sourced from PubChem (CID 25131994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).