1-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-3-(1-propylpiperidin-4-yl)urea

C16H23F3N4O2 — CID 119049063

IUPAC1-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-3-(1-propylpiperidin-4-yl)urea
SMILESCCCN1CCC(NC(=O)Nc2cnc(C(F)(F)F)cc2OC)CC1
InChIInChI=1S/C16H23F3N4O2/c1-3-6-23-7-4-11(5-8-23)21-15(24)22-12-10-20-14(16(17,18)19)9-13(12)25-2/h9-11H,3-8H2,1-2H3,(H2,21,22,24)
InChIKeyALWZIQPYCKSORM-UHFFFAOYSA-N
MW360.38 g/mol
LogP3.10
Rot. Bonds5

About 1-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-3-(1-propylpiperidin-4-yl)urea

1-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-3-(1-propylpiperidin-4-yl)urea (PubChem CID 119049063) has the molecular formula C16H23F3N4O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is 1-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-3-(1-propylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-3-(1-propylpiperidin-4-yl)urea
PubChem CID119049063
Molecular FormulaC16H23F3N4O2
Molecular Weight360.38 g/mol
Exact Mass360.18
IUPAC Name1-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-3-(1-propylpiperidin-4-yl)urea
SMILESCCCN1CCC(NC(=O)Nc2cnc(C(F)(F)F)cc2OC)CC1
InChIInChI=1S/C16H23F3N4O2/c1-3-6-23-7-4-11(5-8-23)21-15(24)22-12-10-20-14(16(17,18)19)9-13(12)25-2/h9-11H,3-8H2,1-2H3,(H2,21,22,24)
InChIKeyALWZIQPYCKSORM-UHFFFAOYSA-N
XLogP3.10
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-3-(1-propylpiperidin-4-yl)urea?
The IUPAC name of 1-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-3-(1-propylpiperidin-4-yl)urea (CID 119049063) is 1-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-3-(1-propylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-3-(1-propylpiperidin-4-yl)urea?
The canonical SMILES for 1-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-3-(1-propylpiperidin-4-yl)urea is CCCN1CCC(NC(=O)Nc2cnc(C(F)(F)F)cc2OC)CC1.
What is the InChIKey of 1-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-3-(1-propylpiperidin-4-yl)urea?
The InChIKey is ALWZIQPYCKSORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4O2/c1-3-6-23-7-4-11(5-8-23)21-15(24)22-12-10-20-14(16(17,18)19)9-13(12)25-2/h9-11H,3-8H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-3-(1-propylpiperidin-4-yl)urea?
1-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-3-(1-propylpiperidin-4-yl)urea has a molecular weight of 360.38 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-3-(1-propylpiperidin-4-yl)urea is sourced from PubChem (CID 119049063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).