1-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-[1-(morpholine-4-carbonyl)piperidin-4-yl]urea

C18H22F4N4O4 — CID 118409147

IUPAC1-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-[1-(morpholine-4-carbonyl)piperidin-4-yl]urea
SMILESO=C(Nc1ccc(OC(F)(F)F)c(F)c1)NC1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C18H22F4N4O4/c19-14-11-13(1-2-15(14)30-18(20,21)22)24-16(27)23-12-3-5-25(6-4-12)17(28)26-7-9-29-10-8-26/h1-2,11-12H,3-10H2,(H2,23,24,27)
InChIKeyBJKZKIIDDOPGSL-UHFFFAOYSA-N
MW434.39 g/mol
LogP2.76
Rot. Bonds3

About 1-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-[1-(morpholine-4-carbonyl)piperidin-4-yl]urea

1-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-[1-(morpholine-4-carbonyl)piperidin-4-yl]urea (PubChem CID 118409147) has the molecular formula C18H22F4N4O4 and a molecular weight of 434.39 g/mol. Its IUPAC name is 1-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-[1-(morpholine-4-carbonyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-[1-(morpholine-4-carbonyl)piperidin-4-yl]urea
PubChem CID118409147
Molecular FormulaC18H22F4N4O4
Molecular Weight434.39 g/mol
Exact Mass434.16
IUPAC Name1-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-[1-(morpholine-4-carbonyl)piperidin-4-yl]urea
SMILESO=C(Nc1ccc(OC(F)(F)F)c(F)c1)NC1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C18H22F4N4O4/c19-14-11-13(1-2-15(14)30-18(20,21)22)24-16(27)23-12-3-5-25(6-4-12)17(28)26-7-9-29-10-8-26/h1-2,11-12H,3-10H2,(H2,23,24,27)
InChIKeyBJKZKIIDDOPGSL-UHFFFAOYSA-N
XLogP2.76
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.39
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-[1-(morpholine-4-carbonyl)piperidin-4-yl]urea?
The IUPAC name of 1-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-[1-(morpholine-4-carbonyl)piperidin-4-yl]urea (CID 118409147) is 1-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-[1-(morpholine-4-carbonyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-[1-(morpholine-4-carbonyl)piperidin-4-yl]urea?
The canonical SMILES for 1-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-[1-(morpholine-4-carbonyl)piperidin-4-yl]urea is O=C(Nc1ccc(OC(F)(F)F)c(F)c1)NC1CCN(C(=O)N2CCOCC2)CC1.
What is the InChIKey of 1-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-[1-(morpholine-4-carbonyl)piperidin-4-yl]urea?
The InChIKey is BJKZKIIDDOPGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F4N4O4/c19-14-11-13(1-2-15(14)30-18(20,21)22)24-16(27)23-12-3-5-25(6-4-12)17(28)26-7-9-29-10-8-26/h1-2,11-12H,3-10H2,(H2,23,24,27).
What are the key properties of 1-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-[1-(morpholine-4-carbonyl)piperidin-4-yl]urea?
1-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-[1-(morpholine-4-carbonyl)piperidin-4-yl]urea has a molecular weight of 434.39 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-[1-(morpholine-4-carbonyl)piperidin-4-yl]urea is sourced from PubChem (CID 118409147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).