[1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea

C16H24N4O3 — CID 3313073

IUPAC[1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea
SMILESCCOc1ccccc1N1CCN(C(=O)C(C)NC(N)=O)CC1
InChIInChI=1S/C16H24N4O3/c1-3-23-14-7-5-4-6-13(14)19-8-10-20(11-9-19)15(21)12(2)18-16(17)22/h4-7,12H,3,8-11H2,1-2H3,(H3,17,18,22)
InChIKeyLHFPZOOHXCYGPI-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.79
Rot. Bonds5

About [1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea

[1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea (PubChem CID 3313073) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is [1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea.

Molecular Properties

Compound Name[1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea
PubChem CID3313073
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name[1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea
SMILESCCOc1ccccc1N1CCN(C(=O)C(C)NC(N)=O)CC1
InChIInChI=1S/C16H24N4O3/c1-3-23-14-7-5-4-6-13(14)19-8-10-20(11-9-19)15(21)12(2)18-16(17)22/h4-7,12H,3,8-11H2,1-2H3,(H3,17,18,22)
InChIKeyLHFPZOOHXCYGPI-UHFFFAOYSA-N
XLogP0.79
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-3-[1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea
CID 42696645
N-[(2S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-fluorobenzenesulfonamide
CID 24538543
(2R)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-methylsulfonylpropan-1-one
CID 95133049
N-[(2S,3S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 7613117
(2R)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide
CID 8691494
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 47031332
4-(2-ethoxyphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112383
(2S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone
CID 40783173
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(3-fluorophenoxy)propan-1-one
CID 86925847
4-ethoxy-N-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9415430
2-(dimethylamino)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 131907631
N-[1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]naphthalene-2-sulfonamide
CID 24640818

Frequently Asked Questions

What is the IUPAC name of [1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea?
The IUPAC name of [1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea (CID 3313073) is [1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea.
What is the SMILES notation for [1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea?
The canonical SMILES for [1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea is CCOc1ccccc1N1CCN(C(=O)C(C)NC(N)=O)CC1.
What is the InChIKey of [1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea?
The InChIKey is LHFPZOOHXCYGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-3-23-14-7-5-4-6-13(14)19-8-10-20(11-9-19)15(21)12(2)18-16(17)22/h4-7,12H,3,8-11H2,1-2H3,(H3,17,18,22).
What are the key properties of [1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea?
[1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea has a molecular weight of 320.39 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea is sourced from PubChem (CID 3313073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).