4-(3-fluorobenzoyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)piperazine-1-carboxamide

C22H24F2N4O3 — CID 25094760

IUPAC4-(3-fluorobenzoyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)c(F)c1)N1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C22H24F2N4O3/c23-17-3-1-2-16(14-17)21(29)27-6-8-28(9-7-27)22(30)25-18-4-5-20(19(24)15-18)26-10-12-31-13-11-26/h1-5,14-15H,6-13H2,(H,25,30)
InChIKeyWGFHZICFLHOTMF-UHFFFAOYSA-N
MW430.46 g/mol
LogP2.79
Rot. Bonds3

About 4-(3-fluorobenzoyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)piperazine-1-carboxamide

4-(3-fluorobenzoyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)piperazine-1-carboxamide (PubChem CID 25094760) has the molecular formula C22H24F2N4O3 and a molecular weight of 430.46 g/mol. Its IUPAC name is 4-(3-fluorobenzoyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-fluorobenzoyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)piperazine-1-carboxamide
PubChem CID25094760
Molecular FormulaC22H24F2N4O3
Molecular Weight430.46 g/mol
Exact Mass430.18
IUPAC Name4-(3-fluorobenzoyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)c(F)c1)N1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C22H24F2N4O3/c23-17-3-1-2-16(14-17)21(29)27-6-8-28(9-7-27)22(30)25-18-4-5-20(19(24)15-18)26-10-12-31-13-11-26/h1-5,14-15H,6-13H2,(H,25,30)
InChIKeyWGFHZICFLHOTMF-UHFFFAOYSA-N
XLogP2.79
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 52.79
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-fluoro-4-[[4-(3-fluorobenzoyl)piperazine-1-carbonyl]amino]phenyl]piperazine-1-carboxylic acid
CID 70850398
N-[4-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(morpholine-4-carbonyl)phenyl]furan-2-carboxamide
CID 42678329
ethane;N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide
CID 145422161
(3-fluorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 113073665
N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]morpholine-4-carboxamide
CID 94189690
N-(3-fluoro-4-morpholin-4-ylphenyl)propanamide
CID 144950070
N-(5-chloro-2-morpholin-4-ylphenyl)-3-fluorobenzamide
CID 952445
4-[4-[(3-fluorobenzoyl)amino]-2-(pyrrolidine-1-carbonyl)phenyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 42672081
N-(3-fluoro-4-morpholin-4-ylphenyl)-2-morpholin-4-ylpyridine-4-carboxamide
CID 46968940
4-(3-fluorobenzoyl)-N-(3-fluoro-4-nitrophenyl)piperazine-1-carboxamide;3-fluoro-4-nitrobenzoic acid;(3-fluorophenyl)-piperazin-1-ylmethanone
CID 161351635
N-(4-chloro-3-fluorophenyl)morpholine-4-carboxamide
CID 47223545
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorobenzoyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-fluorobenzoyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)piperazine-1-carboxamide (CID 25094760) is 4-(3-fluorobenzoyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-fluorobenzoyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-fluorobenzoyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)piperazine-1-carboxamide is O=C(Nc1ccc(N2CCOCC2)c(F)c1)N1CCN(C(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 4-(3-fluorobenzoyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)piperazine-1-carboxamide?
The InChIKey is WGFHZICFLHOTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O3/c23-17-3-1-2-16(14-17)21(29)27-6-8-28(9-7-27)22(30)25-18-4-5-20(19(24)15-18)26-10-12-31-13-11-26/h1-5,14-15H,6-13H2,(H,25,30).
What are the key properties of 4-(3-fluorobenzoyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)piperazine-1-carboxamide?
4-(3-fluorobenzoyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)piperazine-1-carboxamide has a molecular weight of 430.46 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorobenzoyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 25094760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).