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

C18H24F3N3O2 — CID 56971639

IUPAC1-[1-(2-methylbutanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESCCC(C)C(=O)N1CCC(NC(=O)Nc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C18H24F3N3O2/c1-3-12(2)16(25)24-10-8-15(9-11-24)23-17(26)22-14-6-4-13(5-7-14)18(19,20)21/h4-7,12,15H,3,8-11H2,1-2H3,(H2,22,23,26)
InChIKeyGYIFHGGYNPKLFC-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.86
Rot. Bonds4

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

1-[1-(2-methylbutanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 56971639) has the molecular formula C18H24F3N3O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is 1-[1-(2-methylbutanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[1-(2-methylbutanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID56971639
Molecular FormulaC18H24F3N3O2
Molecular Weight371.40 g/mol
Exact Mass371.18
IUPAC Name1-[1-(2-methylbutanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESCCC(C)C(=O)N1CCC(NC(=O)Nc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C18H24F3N3O2/c1-3-12(2)16(25)24-10-8-15(9-11-24)23-17(26)22-14-6-4-13(5-7-14)18(19,20)21/h4-7,12,15H,3,8-11H2,1-2H3,(H2,22,23,26)
InChIKeyGYIFHGGYNPKLFC-UHFFFAOYSA-N
XLogP3.86
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylbutanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[1-(2-methylbutanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea (CID 56971639) is 1-[1-(2-methylbutanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[1-(2-methylbutanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[1-(2-methylbutanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea is CCC(C)C(=O)N1CCC(NC(=O)Nc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 1-[1-(2-methylbutanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is GYIFHGGYNPKLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O2/c1-3-12(2)16(25)24-10-8-15(9-11-24)23-17(26)22-14-6-4-13(5-7-14)18(19,20)21/h4-7,12,15H,3,8-11H2,1-2H3,(H2,22,23,26).
What are the key properties of 1-[1-(2-methylbutanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea?
1-[1-(2-methylbutanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 371.40 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylbutanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 56971639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).