1-(4-fluorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea

C13H17FN4O2 — CID 61177229

IUPAC1-(4-fluorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea
SMILESO=C(NCC(=O)N1CCNCC1)Nc1ccc(F)cc1
InChIInChI=1S/C13H17FN4O2/c14-10-1-3-11(4-2-10)17-13(20)16-9-12(19)18-7-5-15-6-8-18/h1-4,15H,5-9H2,(H2,16,17,20)
InChIKeyWHUHGDPUBDEJFT-UHFFFAOYSA-N
MW280.30 g/mol
LogP0.38
Rot. Bonds3

About 1-(4-fluorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea

1-(4-fluorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea (PubChem CID 61177229) has the molecular formula C13H17FN4O2 and a molecular weight of 280.30 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea
PubChem CID61177229
Molecular FormulaC13H17FN4O2
Molecular Weight280.30 g/mol
Exact Mass280.13
IUPAC Name1-(4-fluorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea
SMILESO=C(NCC(=O)N1CCNCC1)Nc1ccc(F)cc1
InChIInChI=1S/C13H17FN4O2/c14-10-1-3-11(4-2-10)17-13(20)16-9-12(19)18-7-5-15-6-8-18/h1-4,15H,5-9H2,(H2,16,17,20)
InChIKeyWHUHGDPUBDEJFT-UHFFFAOYSA-N
XLogP0.38
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dichlorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea
CID 107654016
N-(4-fluorophenyl)-2-(2-oxo-2-piperazin-1-ylethyl)sulfanylacetamide
CID 39161773
1-(4-chlorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea
CID 110371137
1-(3-chlorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea
CID 61176836
5-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-2-carboxamide
CID 104639214
1-[2-(azepan-1-yl)-2-oxoethyl]-3-phenylurea
CID 24583495
1-(2-oxo-2-piperazin-1-ylethyl)-3-propan-2-ylurea
CID 61176089
3-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454984
1-[(4-chlorophenyl)methyl]-3-[4-(2-oxo-2-piperazin-1-ylethyl)phenyl]urea;methanol
CID 156825295
1-(4-fluorophenyl)-3-[1-[2-(methylamino)acetyl]piperidin-4-yl]urea
CID 119734443
1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-phenylurea
CID 42156451
N-[4-[(4-fluorophenyl)carbamoyl]phenyl]piperazine-1-carboxamide;hydrochloride
CID 158193978

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea?
The IUPAC name of 1-(4-fluorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea (CID 61177229) is 1-(4-fluorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea is O=C(NCC(=O)N1CCNCC1)Nc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea?
The InChIKey is WHUHGDPUBDEJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O2/c14-10-1-3-11(4-2-10)17-13(20)16-9-12(19)18-7-5-15-6-8-18/h1-4,15H,5-9H2,(H2,16,17,20).
What are the key properties of 1-(4-fluorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea?
1-(4-fluorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea has a molecular weight of 280.30 g/mol, XLogP of 0.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea is sourced from PubChem (CID 61177229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).