[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea

C13H17FN4O2 — CID 9081569

IUPAC[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea
SMILESNC(=O)NCC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C13H17FN4O2/c14-10-1-3-11(4-2-10)17-5-7-18(8-6-17)12(19)9-16-13(15)20/h1-4H,5-9H2,(H3,15,16,20)
InChIKeySKNAVWTWYSNMGG-UHFFFAOYSA-N
MW280.30 g/mol
LogP0.14
Rot. Bonds3

About [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea

[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea (PubChem CID 9081569) has the molecular formula C13H17FN4O2 and a molecular weight of 280.30 g/mol. Its IUPAC name is [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea.

Molecular Properties

Compound Name[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea
PubChem CID9081569
Molecular FormulaC13H17FN4O2
Molecular Weight280.30 g/mol
Exact Mass280.13
IUPAC Name[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea
SMILESNC(=O)NCC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C13H17FN4O2/c14-10-1-3-11(4-2-10)17-5-7-18(8-6-17)12(19)9-16-13(15)20/h1-4H,5-9H2,(H3,15,16,20)
InChIKeySKNAVWTWYSNMGG-UHFFFAOYSA-N
XLogP0.14
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9081763
5-bromo-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 7494653
ethane;1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-methylhydrazinyl)ethanone
CID 142843333
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 9081766
1-(4-chlorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea
CID 110371137
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
(2S)-2-amino-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3,3-dimethylbutanamide
CID 119858800
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-thiophen-2-ylacetamide
CID 113097730
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18107439
3-amino-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]butanamide;dihydrochloride
CID 119858817
3-(ethylamino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 62832473
4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-N-prop-2-enylbutanamide
CID 3326442

Frequently Asked Questions

What is the IUPAC name of [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea?
The IUPAC name of [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea (CID 9081569) is [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea.
What is the SMILES notation for [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea?
The canonical SMILES for [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea is NC(=O)NCC(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea?
The InChIKey is SKNAVWTWYSNMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O2/c14-10-1-3-11(4-2-10)17-5-7-18(8-6-17)12(19)9-16-13(15)20/h1-4H,5-9H2,(H3,15,16,20).
What are the key properties of [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea?
[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea has a molecular weight of 280.30 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea is sourced from PubChem (CID 9081569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).