[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]urea

C18H19FN4O2 — CID 46697484

IUPAC[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]urea
SMILESNC(=O)Nc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C18H19FN4O2/c19-14-3-7-16(8-4-14)22-9-11-23(12-10-22)17(24)13-1-5-15(6-2-13)21-18(20)25/h1-8H,9-12H2,(H3,20,21,25)
InChIKeyYYDXKPKFZKZKOX-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.28
Rot. Bonds3

About [4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]urea

[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]urea (PubChem CID 46697484) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is [4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]urea.

Molecular Properties

Compound Name[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]urea
PubChem CID46697484
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC Name[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]urea
SMILESNC(=O)Nc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C18H19FN4O2/c19-14-3-7-16(8-4-14)22-9-11-23(12-10-22)17(24)13-1-5-15(6-2-13)21-18(20)25/h1-8H,9-12H2,(H3,20,21,25)
InChIKeyYYDXKPKFZKZKOX-UHFFFAOYSA-N
XLogP2.28
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-aminophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 9161600
N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-4-fluorobenzamide
CID 17050565
[4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 873857
N-[4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]-2-(4-methylphenyl)sulfonylacetamide
CID 5036336
[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]thiourea
CID 50896011
[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]urea
CID 31912991
N-[4-[4-(4-methylphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 71822640
N-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide
CID 2994878
4-fluoro-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983940
ethyl 4-[4-[(4-fluorophenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113112811
N-[1-(4-carbamoylanilino)-1-oxopropan-2-yl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 53371058
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 17217210

Frequently Asked Questions

What is the IUPAC name of [4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]urea?
The IUPAC name of [4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]urea (CID 46697484) is [4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]urea.
What is the SMILES notation for [4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]urea?
The canonical SMILES for [4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]urea is NC(=O)Nc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of [4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]urea?
The InChIKey is YYDXKPKFZKZKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2/c19-14-3-7-16(8-4-14)22-9-11-23(12-10-22)17(24)13-1-5-15(6-2-13)21-18(20)25/h1-8H,9-12H2,(H3,20,21,25).
What are the key properties of [4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]urea?
[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]urea has a molecular weight of 342.37 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]urea is sourced from PubChem (CID 46697484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).