1-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea

C19H20F3N3O4 — CID 118409145

IUPAC1-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESCc1ccoc1C(=O)N1CCC(NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C19H20F3N3O4/c1-12-8-11-28-16(12)17(26)25-9-6-14(7-10-25)24-18(27)23-13-2-4-15(5-3-13)29-19(20,21)22/h2-5,8,11,14H,6-7,9-10H2,1H3,(H2,23,24,27)
InChIKeyGEPCEEXLBUBPNZ-UHFFFAOYSA-N
MW411.38 g/mol
LogP3.91
Rot. Bonds4

About 1-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea

1-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea (PubChem CID 118409145) has the molecular formula C19H20F3N3O4 and a molecular weight of 411.38 g/mol. Its IUPAC name is 1-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
PubChem CID118409145
Molecular FormulaC19H20F3N3O4
Molecular Weight411.38 g/mol
Exact Mass411.14
IUPAC Name1-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESCc1ccoc1C(=O)N1CCC(NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C19H20F3N3O4/c1-12-8-11-28-16(12)17(26)25-9-6-14(7-10-25)24-18(27)23-13-2-4-15(5-3-13)29-19(20,21)22/h2-5,8,11,14H,6-7,9-10H2,1H3,(H2,23,24,27)
InChIKeyGEPCEEXLBUBPNZ-UHFFFAOYSA-N
XLogP3.91
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.38
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea (CID 118409145) is 1-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea is Cc1ccoc1C(=O)N1CCC(NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of 1-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea?
The InChIKey is GEPCEEXLBUBPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O4/c1-12-8-11-28-16(12)17(26)25-9-6-14(7-10-25)24-18(27)23-13-2-4-15(5-3-13)29-19(20,21)22/h2-5,8,11,14H,6-7,9-10H2,1H3,(H2,23,24,27).
What are the key properties of 1-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea?
1-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea has a molecular weight of 411.38 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 118409145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).