4-[4-[[2-[(4-fluorophenyl)methoxy]benzoyl]amino]phenyl]piperazine-1-carboxylic acid

C25H24FN3O4 — CID 18545453

IUPAC4-[4-[[2-[(4-fluorophenyl)methoxy]benzoyl]amino]phenyl]piperazine-1-carboxylic acid
SMILESO=C(Nc1ccc(N2CCN(C(=O)O)CC2)cc1)c1ccccc1OCc1ccc(F)cc1
InChIInChI=1S/C25H24FN3O4/c26-19-7-5-18(6-8-19)17-33-23-4-2-1-3-22(23)24(30)27-20-9-11-21(12-10-20)28-13-15-29(16-14-28)25(31)32/h1-12H,13-17H2,(H,27,30)(H,31,32)
InChIKeyOAHLJYBHRJBJEP-UHFFFAOYSA-N
MW449.48 g/mol
LogP4.46
Rot. Bonds6

About 4-[4-[[2-[(4-fluorophenyl)methoxy]benzoyl]amino]phenyl]piperazine-1-carboxylic acid

4-[4-[[2-[(4-fluorophenyl)methoxy]benzoyl]amino]phenyl]piperazine-1-carboxylic acid (PubChem CID 18545453) has the molecular formula C25H24FN3O4 and a molecular weight of 449.48 g/mol. Its IUPAC name is 4-[4-[[2-[(4-fluorophenyl)methoxy]benzoyl]amino]phenyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-[[2-[(4-fluorophenyl)methoxy]benzoyl]amino]phenyl]piperazine-1-carboxylic acid
PubChem CID18545453
Molecular FormulaC25H24FN3O4
Molecular Weight449.48 g/mol
Exact Mass449.18
IUPAC Name4-[4-[[2-[(4-fluorophenyl)methoxy]benzoyl]amino]phenyl]piperazine-1-carboxylic acid
SMILESO=C(Nc1ccc(N2CCN(C(=O)O)CC2)cc1)c1ccccc1OCc1ccc(F)cc1
InChIInChI=1S/C25H24FN3O4/c26-19-7-5-18(6-8-19)17-33-23-4-2-1-3-22(23)24(30)27-20-9-11-21(12-10-20)28-13-15-29(16-14-28)25(31)32/h1-12H,13-17H2,(H,27,30)(H,31,32)
InChIKeyOAHLJYBHRJBJEP-UHFFFAOYSA-N
XLogP4.46
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.48
LogP ≤ 54.46
H-Bond Donors ≤ 52
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

2-[(4-fluorophenyl)methoxy]-N-(4-imidazol-1-ylphenyl)benzamide
CID 37187296
[2-[(4-fluorophenyl)methoxy]phenyl]-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone
CID 112803676
2-[(4-fluorophenyl)methoxy]-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 55887151
2-(4-fluorophenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide
CID 112983945
2-[(4-fluorophenyl)methoxy]-N'-phenylbenzohydrazide
CID 78774963
4-fluoro-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983940
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2-[(4-fluorophenyl)methoxy]benzamide
CID 26206760
2-[(3-bromophenyl)methoxy]-N-(4-fluorophenyl)benzamide
CID 16547793
N-(2-fluorophenyl)-2-[(4-fluorophenyl)methoxy]benzamide
CID 26115053
N-[[4-(carbamoylamino)phenyl]methyl]-2-[(4-fluorophenyl)methoxy]benzamide
CID 155947041
2-fluoro-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]benzamide
CID 17273892
2-[[4-(difluoromethoxy)phenyl]methoxy]-N-phenylbenzamide
CID 60558943

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[2-[(4-fluorophenyl)methoxy]benzoyl]amino]phenyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[4-[[2-[(4-fluorophenyl)methoxy]benzoyl]amino]phenyl]piperazine-1-carboxylic acid (CID 18545453) is 4-[4-[[2-[(4-fluorophenyl)methoxy]benzoyl]amino]phenyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[4-[[2-[(4-fluorophenyl)methoxy]benzoyl]amino]phenyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[4-[[2-[(4-fluorophenyl)methoxy]benzoyl]amino]phenyl]piperazine-1-carboxylic acid is O=C(Nc1ccc(N2CCN(C(=O)O)CC2)cc1)c1ccccc1OCc1ccc(F)cc1.
What is the InChIKey of 4-[4-[[2-[(4-fluorophenyl)methoxy]benzoyl]amino]phenyl]piperazine-1-carboxylic acid?
The InChIKey is OAHLJYBHRJBJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O4/c26-19-7-5-18(6-8-19)17-33-23-4-2-1-3-22(23)24(30)27-20-9-11-21(12-10-20)28-13-15-29(16-14-28)25(31)32/h1-12H,13-17H2,(H,27,30)(H,31,32).
What are the key properties of 4-[4-[[2-[(4-fluorophenyl)methoxy]benzoyl]amino]phenyl]piperazine-1-carboxylic acid?
4-[4-[[2-[(4-fluorophenyl)methoxy]benzoyl]amino]phenyl]piperazine-1-carboxylic acid has a molecular weight of 449.48 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[2-[(4-fluorophenyl)methoxy]benzoyl]amino]phenyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 18545453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).