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

C19H20F3N3O3 — CID 118409083

IUPAC1-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESCc1ccoc1C(=O)N1CCC(NC(=O)Nc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H20F3N3O3/c1-12-8-11-28-16(12)17(26)25-9-6-15(7-10-25)24-18(27)23-14-4-2-13(3-5-14)19(20,21)22/h2-5,8,11,15H,6-7,9-10H2,1H3,(H2,23,24,27)
InChIKeyBZYMQILIDMJGDS-UHFFFAOYSA-N
MW395.38 g/mol
LogP4.03
Rot. Bonds3

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

1-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 118409083) has the molecular formula C19H20F3N3O3 and a molecular weight of 395.38 g/mol. Its IUPAC name is 1-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID118409083
Molecular FormulaC19H20F3N3O3
Molecular Weight395.38 g/mol
Exact Mass395.15
IUPAC Name1-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESCc1ccoc1C(=O)N1CCC(NC(=O)Nc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H20F3N3O3/c1-12-8-11-28-16(12)17(26)25-9-6-15(7-10-25)24-18(27)23-14-4-2-13(3-5-14)19(20,21)22/h2-5,8,11,15H,6-7,9-10H2,1H3,(H2,23,24,27)
InChIKeyBZYMQILIDMJGDS-UHFFFAOYSA-N
XLogP4.03
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea (CID 118409083) is 1-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea is Cc1ccoc1C(=O)N1CCC(NC(=O)Nc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 1-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is BZYMQILIDMJGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O3/c1-12-8-11-28-16(12)17(26)25-9-6-15(7-10-25)24-18(27)23-14-4-2-13(3-5-14)19(20,21)22/h2-5,8,11,15H,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-(trifluoromethyl)phenyl]urea?
1-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 395.38 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 118409083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).