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

C18H18ClF3N4O — CID 2746266

IUPAC1-(4-chlorophenyl)-3-[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(N2CCC(C(F)(F)F)CC2)nc1
InChIInChI=1S/C18H18ClF3N4O/c19-13-1-3-14(4-2-13)24-17(27)25-15-5-6-16(23-11-15)26-9-7-12(8-10-26)18(20,21)22/h1-6,11-12H,7-10H2,(H2,24,25,27)
InChIKeyDXVKCLUXZVAXTD-UHFFFAOYSA-N
MW398.82 g/mol
LogP5.16
Rot. Bonds3

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

1-(4-chlorophenyl)-3-[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]urea (PubChem CID 2746266) has the molecular formula C18H18ClF3N4O and a molecular weight of 398.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]urea
PubChem CID2746266
Molecular FormulaC18H18ClF3N4O
Molecular Weight398.82 g/mol
Exact Mass398.11
IUPAC Name1-(4-chlorophenyl)-3-[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(N2CCC(C(F)(F)F)CC2)nc1
InChIInChI=1S/C18H18ClF3N4O/c19-13-1-3-14(4-2-13)24-17(27)25-15-5-6-16(23-11-15)26-9-7-12(8-10-26)18(20,21)22/h1-6,11-12H,7-10H2,(H2,24,25,27)
InChIKeyDXVKCLUXZVAXTD-UHFFFAOYSA-N
XLogP5.16
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.82
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]urea (CID 2746266) is 1-(4-chlorophenyl)-3-[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]urea is O=C(Nc1ccc(Cl)cc1)Nc1ccc(N2CCC(C(F)(F)F)CC2)nc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]urea?
The InChIKey is DXVKCLUXZVAXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF3N4O/c19-13-1-3-14(4-2-13)24-17(27)25-15-5-6-16(23-11-15)26-9-7-12(8-10-26)18(20,21)22/h1-6,11-12H,7-10H2,(H2,24,25,27).
What are the key properties of 1-(4-chlorophenyl)-3-[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]urea?
1-(4-chlorophenyl)-3-[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]urea has a molecular weight of 398.82 g/mol, XLogP of 5.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]urea is sourced from PubChem (CID 2746266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).