1-(2-ethoxy-4-fluorophenyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea

C20H30FN3O3 — CID 55819670

IUPAC1-(2-ethoxy-4-fluorophenyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea
SMILESCCOc1cc(F)ccc1NC(=O)NC1CCN(C(=O)C(CC)CC)CC1
InChIInChI=1S/C20H30FN3O3/c1-4-14(5-2)19(25)24-11-9-16(10-12-24)22-20(26)23-17-8-7-15(21)13-18(17)27-6-3/h7-8,13-14,16H,4-6,9-12H2,1-3H3,(H2,22,23,26)
InChIKeyXUXGIAHVYUVZKA-UHFFFAOYSA-N
MW379.48 g/mol
LogP3.77
Rot. Bonds7

About 1-(2-ethoxy-4-fluorophenyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea

1-(2-ethoxy-4-fluorophenyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea (PubChem CID 55819670) has the molecular formula C20H30FN3O3 and a molecular weight of 379.48 g/mol. Its IUPAC name is 1-(2-ethoxy-4-fluorophenyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(2-ethoxy-4-fluorophenyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea
PubChem CID55819670
Molecular FormulaC20H30FN3O3
Molecular Weight379.48 g/mol
Exact Mass379.23
IUPAC Name1-(2-ethoxy-4-fluorophenyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea
SMILESCCOc1cc(F)ccc1NC(=O)NC1CCN(C(=O)C(CC)CC)CC1
InChIInChI=1S/C20H30FN3O3/c1-4-14(5-2)19(25)24-11-9-16(10-12-24)22-20(26)23-17-8-7-15(21)13-18(17)27-6-3/h7-8,13-14,16H,4-6,9-12H2,1-3H3,(H2,22,23,26)
InChIKeyXUXGIAHVYUVZKA-UHFFFAOYSA-N
XLogP3.77
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxy-4-fluorophenyl)-3-[1-(furan-3-carbonyl)piperidin-4-yl]urea
CID 55793659
1-(4-bromo-2-chlorophenyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea
CID 52662196
(3S)-N-(2-ethoxy-4-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111431407
1-cyclohexyl-3-(4-fluoro-2-methoxyphenyl)urea
CID 47202448
1-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(2-piperidin-1-ylphenyl)urea
CID 55816831
1-(2-ethoxyphenyl)-3-(1-propylpiperidin-4-yl)urea
CID 6468357
1-(2,4-difluorophenyl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
CID 127228015
1-(2-ethoxy-4-fluorophenyl)-3-methoxyurea
CID 75415528
1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(2-propoxyphenyl)urea
CID 49111775
2-(4-aminopiperidin-1-yl)-N-(2-ethoxy-4-fluorophenyl)acetamide
CID 79322871
N-(2-ethoxyphenyl)-4-[(3-fluorobenzoyl)amino]piperidine-1-carboxamide
CID 4988196
1-[(2-ethoxy-4-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122076630

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-4-fluorophenyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea?
The IUPAC name of 1-(2-ethoxy-4-fluorophenyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea (CID 55819670) is 1-(2-ethoxy-4-fluorophenyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-(2-ethoxy-4-fluorophenyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea?
The canonical SMILES for 1-(2-ethoxy-4-fluorophenyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea is CCOc1cc(F)ccc1NC(=O)NC1CCN(C(=O)C(CC)CC)CC1.
What is the InChIKey of 1-(2-ethoxy-4-fluorophenyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea?
The InChIKey is XUXGIAHVYUVZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN3O3/c1-4-14(5-2)19(25)24-11-9-16(10-12-24)22-20(26)23-17-8-7-15(21)13-18(17)27-6-3/h7-8,13-14,16H,4-6,9-12H2,1-3H3,(H2,22,23,26).
What are the key properties of 1-(2-ethoxy-4-fluorophenyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea?
1-(2-ethoxy-4-fluorophenyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea has a molecular weight of 379.48 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-4-fluorophenyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea is sourced from PubChem (CID 55819670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).