1-cyclohexyl-3-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-yl]urea

C17H22F4N4O — CID 133371650

IUPAC1-cyclohexyl-3-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-yl]urea
SMILESO=C(NC1CCCCC1)NC1CCN(c2c(F)c(F)nc(F)c2F)CC1
InChIInChI=1S/C17H22F4N4O/c18-12-14(13(19)16(21)24-15(12)20)25-8-6-11(7-9-25)23-17(26)22-10-4-2-1-3-5-10/h10-11H,1-9H2,(H2,22,23,26)
InChIKeyHQOHPVFKGMICCZ-UHFFFAOYSA-N
MW374.38 g/mol
LogP3.24
Rot. Bonds3

About 1-cyclohexyl-3-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-yl]urea

1-cyclohexyl-3-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-yl]urea (PubChem CID 133371650) has the molecular formula C17H22F4N4O and a molecular weight of 374.38 g/mol. Its IUPAC name is 1-cyclohexyl-3-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-yl]urea
PubChem CID133371650
Molecular FormulaC17H22F4N4O
Molecular Weight374.38 g/mol
Exact Mass374.17
IUPAC Name1-cyclohexyl-3-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-yl]urea
SMILESO=C(NC1CCCCC1)NC1CCN(c2c(F)c(F)nc(F)c2F)CC1
InChIInChI=1S/C17H22F4N4O/c18-12-14(13(19)16(21)24-15(12)20)25-8-6-11(7-9-25)23-17(26)22-10-4-2-1-3-5-10/h10-11H,1-9H2,(H2,22,23,26)
InChIKeyHQOHPVFKGMICCZ-UHFFFAOYSA-N
XLogP3.24
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.38
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-yl]urea (CID 133371650) is 1-cyclohexyl-3-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-yl]urea is O=C(NC1CCCCC1)NC1CCN(c2c(F)c(F)nc(F)c2F)CC1.
What is the InChIKey of 1-cyclohexyl-3-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-yl]urea?
The InChIKey is HQOHPVFKGMICCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F4N4O/c18-12-14(13(19)16(21)24-15(12)20)25-8-6-11(7-9-25)23-17(26)22-10-4-2-1-3-5-10/h10-11H,1-9H2,(H2,22,23,26).
What are the key properties of 1-cyclohexyl-3-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-yl]urea?
1-cyclohexyl-3-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-yl]urea has a molecular weight of 374.38 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-yl]urea is sourced from PubChem (CID 133371650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).