1-(1-cyclopropylpiperidin-4-yl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea

C15H19F3N4O2 — CID 47492543

IUPAC1-(1-cyclopropylpiperidin-4-yl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
SMILESO=C(Nc1cc(C(F)(F)F)c[nH]c1=O)NC1CCN(C2CC2)CC1
InChIInChI=1S/C15H19F3N4O2/c16-15(17,18)9-7-12(13(23)19-8-9)21-14(24)20-10-3-5-22(6-4-10)11-1-2-11/h7-8,10-11H,1-6H2,(H,19,23)(H2,20,21,24)
InChIKeyUQVQKOGVBFJKST-UHFFFAOYSA-N
MW344.34 g/mol
LogP2.14
Rot. Bonds3

About 1-(1-cyclopropylpiperidin-4-yl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea

1-(1-cyclopropylpiperidin-4-yl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea (PubChem CID 47492543) has the molecular formula C15H19F3N4O2 and a molecular weight of 344.34 g/mol. Its IUPAC name is 1-(1-cyclopropylpiperidin-4-yl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea.

Molecular Properties

Compound Name1-(1-cyclopropylpiperidin-4-yl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
PubChem CID47492543
Molecular FormulaC15H19F3N4O2
Molecular Weight344.34 g/mol
Exact Mass344.15
IUPAC Name1-(1-cyclopropylpiperidin-4-yl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
SMILESO=C(Nc1cc(C(F)(F)F)c[nH]c1=O)NC1CCN(C2CC2)CC1
InChIInChI=1S/C15H19F3N4O2/c16-15(17,18)9-7-12(13(23)19-8-9)21-14(24)20-10-3-5-22(6-4-10)11-1-2-11/h7-8,10-11H,1-6H2,(H,19,23)(H2,20,21,24)
InChIKeyUQVQKOGVBFJKST-UHFFFAOYSA-N
XLogP2.14
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpiperidin-4-yl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea?
The IUPAC name of 1-(1-cyclopropylpiperidin-4-yl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea (CID 47492543) is 1-(1-cyclopropylpiperidin-4-yl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea.
What is the SMILES notation for 1-(1-cyclopropylpiperidin-4-yl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea?
The canonical SMILES for 1-(1-cyclopropylpiperidin-4-yl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea is O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)NC1CCN(C2CC2)CC1.
What is the InChIKey of 1-(1-cyclopropylpiperidin-4-yl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea?
The InChIKey is UQVQKOGVBFJKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O2/c16-15(17,18)9-7-12(13(23)19-8-9)21-14(24)20-10-3-5-22(6-4-10)11-1-2-11/h7-8,10-11H,1-6H2,(H,19,23)(H2,20,21,24).
What are the key properties of 1-(1-cyclopropylpiperidin-4-yl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea?
1-(1-cyclopropylpiperidin-4-yl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea has a molecular weight of 344.34 g/mol, XLogP of 2.14, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpiperidin-4-yl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea is sourced from PubChem (CID 47492543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).