1-phenyl-3-[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]urea

C18H19F3N4O — CID 3773760

IUPAC1-phenyl-3-[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]urea
SMILESO=C(Nc1ccccc1)Nc1ccc(N2CCC(C(F)(F)F)CC2)nc1
InChIInChI=1S/C18H19F3N4O/c19-18(20,21)13-8-10-25(11-9-13)16-7-6-15(12-22-16)24-17(26)23-14-4-2-1-3-5-14/h1-7,12-13H,8-11H2,(H2,23,24,26)
InChIKeyYPAQTPKLJIOHGN-UHFFFAOYSA-N
MW364.37 g/mol
LogP4.50
Rot. Bonds3

About 1-phenyl-3-[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]urea

1-phenyl-3-[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]urea (PubChem CID 3773760) has the molecular formula C18H19F3N4O and a molecular weight of 364.37 g/mol. Its IUPAC name is 1-phenyl-3-[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]urea.

Molecular Properties

Compound Name1-phenyl-3-[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]urea
PubChem CID3773760
Molecular FormulaC18H19F3N4O
Molecular Weight364.37 g/mol
Exact Mass364.15
IUPAC Name1-phenyl-3-[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]urea
SMILESO=C(Nc1ccccc1)Nc1ccc(N2CCC(C(F)(F)F)CC2)nc1
InChIInChI=1S/C18H19F3N4O/c19-18(20,21)13-8-10-25(11-9-13)16-7-6-15(12-22-16)24-17(26)23-14-4-2-1-3-5-14/h1-7,12-13H,8-11H2,(H2,23,24,26)
InChIKeyYPAQTPKLJIOHGN-UHFFFAOYSA-N
XLogP4.50
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]urea?
The IUPAC name of 1-phenyl-3-[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]urea (CID 3773760) is 1-phenyl-3-[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]urea.
What is the SMILES notation for 1-phenyl-3-[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]urea?
The canonical SMILES for 1-phenyl-3-[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]urea is O=C(Nc1ccccc1)Nc1ccc(N2CCC(C(F)(F)F)CC2)nc1.
What is the InChIKey of 1-phenyl-3-[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]urea?
The InChIKey is YPAQTPKLJIOHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O/c19-18(20,21)13-8-10-25(11-9-13)16-7-6-15(12-22-16)24-17(26)23-14-4-2-1-3-5-14/h1-7,12-13H,8-11H2,(H2,23,24,26).
What are the key properties of 1-phenyl-3-[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]urea?
1-phenyl-3-[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]urea has a molecular weight of 364.37 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]urea is sourced from PubChem (CID 3773760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).